{ "vercy": "1.0-draft", "publication": { "status": "research-draft", "adjudicationStatus": "unreviewed", "publishableCanonical": false, "generatedAt": "2026-09-12T09:06:50Z", "providers": [ "Codex" ], "breadth": "recalled by Codex without web access - no source was read", "missingProviders": [], "pass": 2, "cost": { "grok": { "seconds": 22.1, "error": "Reading additional input from stdin...\nOpenAI Codex v0.153.4\n--------\nworkdir: R:\\02_PROJECTS\\02_Meta_Models_Platforms\\Ver.cy\\current\\thing-registry-backlog\nmodel: gpt-6-astra\nprovider: openai\napproval: never\nsandbox: read-only\nreasoning effort: none\nreasoning summaries: none\nsession id: 01a094dd-6fd2-79a0-8c82-82bd63bf35f2\n--------\nuser\nDescribe what is already known about one registered thing. Answer as JSON only, no prose around it.\n\nThing: dequalinium chloride\nSense to describe: (none recorded)\nDomain code: PHY.MAT\nAlso known as: (none)\n\n\nContext for this batch of 1001 things:\n# Batch 043:", "usd": 0.0, "recall": true }, "codex": { "seconds": 75.4, "error": "Reading additional input from stdin...\nOpenAI Codex v0.153.4\n--------\nworkdir: R:\\02_PROJECTS\\02_Meta_Models_Platforms\\Ver.cy\\current\\thing-registry-backlog\nmodel: gpt-6-astra\nprovider: openai\napproval: never\nsandbox: read-only\nreasoning effort: none\nreasoning summaries: none\nsession id: 01a094dd-6fd4-77f3-b514-3dae1717b74c\n--------\nuser\nYou are drafting a Vercy meta-model for one registered thing. Answer as JSON only, no prose around it.\n\nThing: dequalinium chloride\nRegistry id: vr.tr.dequalinium-chloride\nPlane / domain: PHY / PHY.MAT\nRegistry definition: (none recorded)\nNames folded into thi" } }, "enrichment": { "pass": 3, "engine": "claude", "producedAt": "2026-10-06T12:00:00Z", "ingestedAt": "2026-10-06T08:55:04+00:00", "fields": [ "agent_conduct", "ethics", "failure_modes_and_hazards", "owners", "visual_identification" ] }, "gate": { "passed": true, "version": "1.0", "at": "2026-10-07T10:10:31+00:00", "evidence": [ "completeness 1.00", "sense: Wikidata description", "2 live sources", "review by codex: pass" ] } }, "metaModel": { "id": "THING-Q5261117", "registryId": "vr.tr.dequalinium-chloride", "name": "dequalinium chloride", "version": "0.1.0-research.1", "entryKind": "thing", "family": "Thing Registry", "domain": [ "PHY.MAT" ], "status": "research-draft" }, "canonicalUrl": "https://ver.cy/models/thing/q5261117/", "model": { "registry_id": "vr.tr.dequalinium-chloride", "name": "dequalinium chloride", "purpose": "Enable an agent to recognise dequalinium chloride, assess the identity and condition of a material lot, and determine its suitability for a specified use.", "definition": "Dequalinium chloride is a bis-quaternary ammonium salt comprising a dequalinium dication, with two substituted quinolinium groups joined by a ten-carbon chain, and two chloride counterions, used as an antimicrobial antiseptic.", "scope_statement": "This model owns the substance-specific identity, composition, quality, physical behaviour, activity evidence and handling constraints of dequalinium chloride under vr.tr.dequalinium-chloride in PHY / PHY.MAT; it extends the broader chloride concept through the identity of its organic cation and salt composition.", "in_scope": [ "Dequalinium chloride identity and its relationship to the dequalinium active moiety and chloride counterion", "Salt stoichiometry, water content, purity, impurities and declared material grade", "Physical state, dissolution, thermal behaviour and storage-dependent condition", "Antimicrobial activity and material compatibility under documented experimental conditions", "Substance-level hazards, handling constraints and jurisdiction-specific identity records" ], "out_of_scope": [ "The general chemistry and environmental behaviour of chloride", "Other dequalinium salts as independently specified substances", "Finished medicines, their excipients, packaging and product authorisations", "Patient diagnosis, prescribing, dosing and treatment selection", "Manufacturing equipment and complete synthesis processes" ], "distinguishing_features": [ "Identify the dichloride salt of dequalinium, rather than chloride alone or a record describing only the active moiety. [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/10649)", "Confirm two 4-amino-2-methylquinolinium units joined through their ring nitrogens by a ten-carbon chain, distinguishing the cation from other quaternary ammonium antiseptics. [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/2993)", "Check that the counterion is chloride rather than acetate; shared dequalinium identity does not establish salt identity. [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/10649)", "Cross-check the declared substance against CAS 522-51-0 and PubChem CID 10649, resolving any identifier that refers instead to a parent moiety or formulation. [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/10649)", "Require substance identity and assay evidence for a lot; a product name or positive chloride test alone cannot establish dequalinium chloride identity." ], "characteristics": [ { "name": "Chemical identity and counterion", "kind": "category", "unit_or_values": "Verified dequalinium structure; chloride identity; identifier source and version", "why_it_matters": "Separates this salt from other chloride salts, other dequalinium salts and active-moiety records." }, { "name": "Counterion stoichiometry", "kind": "measurement", "unit_or_values": "mol chloride per mol dequalinium; expected dichloride relationship", "why_it_matters": "Supports salt identification and interpretation of composition measurements." }, { "name": "Assay and reporting basis", "kind": "measurement", "unit_or_values": "% mass fraction; as received, dried or anhydrous basis; salt or active-moiety basis", "why_it_matters": "Prevents incorrect comparison or conversion of quantities reported on different bases." }, { "name": "Water and residual solvent content", "kind": "measurement", "unit_or_values": "% mass fraction or mg/kg, with analytical method", "why_it_matters": "Connects lot composition to assay correction, material condition and use requirements." }, { "name": "Related substances", "kind": "measurement", "unit_or_values": "Individual and total impurity concentrations, detection limits and identification status", "why_it_matters": "Distinguishes acceptable material from contaminated or degraded lots." }, { "name": "Material grade and release status", "kind": "state", "unit_or_values": "Declared grade and specification edition; untested, quarantined, released or rejected", "why_it_matters": "Connects measured quality to a documented use-specific acceptance decision." }, { "name": "Solid state and thermal behaviour", "kind": "measurement", "unit_or_values": "Observed solid form; transition or decomposition temperature in °C with method and conditions", "why_it_matters": "Prevents an unqualified thermal value from being treated as a universal material constant." }, { "name": "Solubility and solution condition", "kind": "measurement", "unit_or_values": "g/L or mol/L with solvent, temperature, pH, equilibration time and observations", "why_it_matters": "Determines whether a proposed preparation reaches its intended dissolved concentration." }, { "name": "Antimicrobial performance", "kind": "measurement", "unit_or_values": "MIC, MBC or log reduction with units, organism, medium, concentration and exposure duration", "why_it_matters": "Makes activity evidence interpretable without assuming universal efficacy." }, { "name": "Hazard and regulatory evidence", "kind": "relation", "unit_or_values": "Linked safety data sheet, classification record, jurisdiction, revision date and applicability", "why_it_matters": "Supports handling decisions while distinguishing substance classification from product authorisation." } ], "affordances": [ "Resolve a supplier or registry record to the chloride salt and link its active-moiety and chloride relationships.", "Compare a lot's analytical results with a named specification and flag missing evidence.", "Convert measured quantities between reporting bases when composition and water-content evidence support the conversion.", "Assess whether a proposed solvent and preparation condition have adequate dissolution and compatibility evidence.", "Retrieve antimicrobial results matching the intended organism and exposure conditions.", "Determine documented storage, handling and disposal requirements for the actual material and jurisdiction." ], "agent_conduct": { "may": [ "Describe dequalinium chloride's use as an antiseptic, for example in throat lozenges and vaginal preparations.", "Remind users to follow the product label or prescriber's instructions." ], "must_not": [ "Recommend it to treat an infection without suitable diagnosis where the product requires one.", "Advise use outside the labelled route or in ways that can cause local injury.", "Present antiseptic lozenges as treating serious bacterial infections." ], "requires_human": [ "Any decision on treating infections in pregnancy or in children." ] }, "ethics": { "considerations": [ "Intimate health conditions carry stigma; information must be accurate and private." ], "affected_parties": [ "Patients", "Pregnant people", "Pharmacists" ] }, "owners": { "steward": "The marketing authorisation holder; the pharmacist or prescriber answers for each supply.", "master_systems": [ "National medicines registers" ] }, "visual_identification": [ "Supplied as lozenges or vaginal tablets; identity is confirmed by label and pharmacy records." ], "failure_modes_and_hazards": [ "Local irritation or ulceration if used incorrectly.", "Delayed treatment if a serious infection is mistaken for a minor one." ], "what_it_is_for": [ "Dequalinium chloride is encountered as an antimicrobial ingredient in some medicinal antiseptic formulations and as a laboratory chemical.", "Pharmaceutical development and quality control use identity and purity testing to assess material intended for a specified formulation." ], "standards_and_regulation": [ "The European Pharmacopoeia monograph for dequalinium chloride, issued by the Council of Europe through the European Directorate for the Quality of Medicines and HealthCare, specifies pharmaceutical quality requirements for the substance." ] }, "sources": [ { "id": "wikidata", "title": "Wikidata item Q5261117: dequalinium chloride", "url": "https://www.wikidata.org/wiki/Q5261117", "url_status": "live", "what_it_supports": "identity and sense of the item", "checked_by": "wikidata-api" }, { "id": "wikipedia-en", "title": "Wikipedia: Dequalinium", "url": "https://en.wikipedia.org/wiki/Dequalinium", "url_status": "live", "what_it_supports": "general description of the item", "checked_by": "wikidata-api sitelink" } ], "structure": { "bundles": [ { "id": "salt-identity-and-boundaries", "name": "Salt identity and boundaries", "description": "Establish which chemical entity the dequalinium chloride record represents.", "rationale": "The model must add the specific dequalinium salt identity to chloride without confusing the salt, active moiety and finished product.", "layers": [ { "id": "cation-and-counterion", "name": "Cation and counterion", "description": "Resolve the organic ion structure and its chloride relationship.", "findings": [ { "id": "structural-identity", "name": "Structural identity", "description": "Require evidence identifying the dequalinium component and the dichloride salt.", "questions": [ { "text": "Which structural reference and analytical identity tests establish the dequalinium component?", "kind": "definition", "id": "structural-identity-q01" }, { "text": "What evidence confirms chloride identity and its stoichiometric relationship to dequalinium?", "kind": "measurement", "id": "structural-identity-q02" } ] } ] }, { "id": "registry-and-material-boundary", "name": "Registry and material boundary", "description": "Keep identifiers and supplied materials attached to the correct entity.", "findings": [ { "id": "salt-moiety-product-resolution", "name": "Salt, moiety and product resolution", "description": "Separate identifiers for dequalinium chloride from identifiers for dequalinium, other salts and preparations.", "questions": [ { "text": "Which CAS, PubChem, EC and jurisdictional identifiers explicitly denote this salt, and which source verifies each mapping?", "kind": "provenance", "id": "salt-moiety-product-resolution-q01" }, { "text": "Does the supplied name refer to the substance, another dequalinium salt or a formulated product?", "kind": "boundary", "id": "salt-moiety-product-resolution-q02" } ] } ] } ] }, { "id": "lot-composition-and-grade", "name": "Lot composition and grade", "description": "Describe the quantity and quality of dequalinium chloride in a particular material lot.", "rationale": "Salt identity alone cannot establish purity, reporting basis or suitability as an ingredient.", "layers": [ { "id": "assay-basis-and-water", "name": "Assay basis and water", "description": "Make composition measurements comparable across certificates and preparations.", "findings": [ { "id": "comparable-content", "name": "Comparable content", "description": "Record assay alongside water, solvent and salt-versus-moiety reporting conventions.", "questions": [ { "text": "Is the assay expressed as dequalinium chloride or dequalinium, and on an as-received, dried or anhydrous basis?", "kind": "measurement", "id": "comparable-content-q01" }, { "text": "Which measured water and residual-solvent contents are required to reconcile the reported assay with weighed material?", "kind": "measurement", "id": "comparable-content-q02" } ] } ] }, { "id": "impurities-and-acceptance", "name": "Impurities and acceptance", "description": "Connect lot-specific contamination and degradation evidence to a declared grade.", "findings": [ { "id": "grade-supported-release", "name": "Grade-supported release", "description": "Require an applicable specification and traceable results before assigning material suitability.", "questions": [ { "text": "Which related substances, process residues and degradation products must be measured under the selected specification?", "kind": "measurement", "id": "grade-supported-release-q01" }, { "text": "Which specification edition and certificate support the declared grade and release decision?", "kind": "provenance", "id": "grade-supported-release-q02" }, { "text": "Which failed or missing results require quarantine or rejection for the intended use?", "kind": "action", "id": "grade-supported-release-q03" } ] } ] } ] }, { "id": "physical-state-and-preparation", "name": "Physical state and preparation", "description": "Describe dequalinium chloride as supplied and when introduced into a preparation medium.", "rationale": "Water content, thermal behaviour and dissolution conditions affect how a measured mass becomes usable material.", "layers": [ { "id": "solid-and-thermal-state", "name": "Solid and thermal state", "description": "Attach physical observations and thermal measurements to a characterised sample.", "findings": [ { "id": "qualified-physical-constants", "name": "Qualified physical constants", "description": "Distinguish measured phase behaviour from copied or inapplicable constants.", "questions": [ { "text": "What solid form and water state were present in the sample used for physical measurements?", "kind": "measurement", "id": "qualified-physical-constants-q01" }, { "text": "Does the reported thermal event represent melting, water loss or decomposition, and under what method and pressure?", "kind": "measurement", "id": "qualified-physical-constants-q02" }, { "text": "Is a boiling point experimentally meaningful for this material, or should it remain unassigned because of decomposition or missing evidence?", "kind": "boundary", "id": "qualified-physical-constants-q03" } ] } ] }, { "id": "dissolution-and-medium", "name": "Dissolution and medium", "description": "Assess whether a preparation contains the intended dissolved amount.", "findings": [ { "id": "verified-solution-state", "name": "Verified solution state", "description": "Separate nominal added concentration from measured dissolved concentration.", "questions": [ { "text": "What solubility is measured in the proposed solvent at the stated temperature, pH and ionic composition?", "kind": "measurement", "id": "verified-solution-state-q01" }, { "text": "How are incomplete dissolution, precipitation or aggregation distinguished from a stable dissolved preparation?", "kind": "measurement", "id": "verified-solution-state-q02" }, { "text": "What preparation conditions and concentration checks are supported for the intended material use?", "kind": "action", "id": "verified-solution-state-q03" } ] } ] } ] }, { "id": "activity-and-compatibility", "name": "Activity and compatibility", "description": "Organise evidence about dequalinium chloride activity and changes caused by its surrounding medium.", "rationale": "An antiseptic role does not establish performance in every organism, matrix or formulation.", "layers": [ { "id": "antimicrobial-test-context", "name": "Antimicrobial test context", "description": "Make activity results conditional on the actual experimental system.", "findings": [ { "id": "bounded-activity-evidence", "name": "Bounded activity evidence", "description": "Record organism-specific endpoints without turning laboratory results into clinical instructions.", "questions": [ { "text": "Which organism and strain, assay method, medium, concentration basis and exposure duration produced the reported endpoint?", "kind": "measurement", "id": "bounded-activity-evidence-q01" }, { "text": "What controls exclude residual dequalinium chloride carryover from distorting the measured antimicrobial result?", "kind": "measurement", "id": "bounded-activity-evidence-q02" }, { "text": "Which conclusions apply to the tested substance preparation, and which require separate finished-product or clinical evidence?", "kind": "boundary", "id": "bounded-activity-evidence-q03" } ] } ] }, { "id": "matrix-and-contact-materials", "name": "Matrix and contact materials", "description": "Investigate interactions that alter recoverable concentration or observed activity.", "findings": [ { "id": "compatibility-dependent-availability", "name": "Compatibility-dependent availability", "description": "Treat possible binding, precipitation and adsorption as testable preparation constraints.", "questions": [ { "text": "What evidence shows whether anionic ingredients, proteins or other matrix components change solubility or activity?", "kind": "measurement", "id": "compatibility-dependent-availability-q01" }, { "text": "Do containers, filters or tubing reduce recoverable dequalinium chloride under the intended contact conditions?", "kind": "measurement", "id": "compatibility-dependent-availability-q02" }, { "text": "Which demonstrated interactions require a different material, preparation condition or verification step?", "kind": "action", "id": "compatibility-dependent-availability-q03" } ] } ] } ] }, { "id": "stability-hazards-and-use-status", "name": "Stability, hazards and use status", "description": "Connect the material's current condition with supported handling and use constraints.", "rationale": "Storage history and applicable safety evidence determine whether a chemically identified lot remains suitable to handle or use.", "layers": [ { "id": "storage-and-retest", "name": "Storage and retest", "description": "Track evidence that dequalinium chloride remains within specification.", "findings": [ { "id": "condition-dependent-suitability", "name": "Condition-dependent suitability", "description": "Relate storage exposure and analytical changes to retest decisions.", "questions": [ { "text": "Which stability studies support storage conditions and retest periods for the supplied solid or prepared solution?", "kind": "provenance", "id": "condition-dependent-suitability-q01" }, { "text": "What changes in assay, impurities, water content or appearance trigger investigation after a storage excursion?", "kind": "action", "id": "condition-dependent-suitability-q02" } ] } ] }, { "id": "hazards-and-jurisdiction", "name": "Hazards and jurisdiction", "description": "Resolve handling requirements and distinguish substance records from product permissions.", "findings": [ { "id": "applicable-safety-record", "name": "Applicable safety record", "description": "Use current evidence matched to composition, physical form and jurisdiction.", "questions": [ { "text": "Which current classification and safety data sheet apply to this dequalinium chloride material and concentration?", "kind": "provenance", "id": "applicable-safety-record-q01" }, { "text": "Are substance-specific exposure limits established in the relevant jurisdiction, and what units and exposure periods apply?", "kind": "measurement", "id": "applicable-safety-record-q02" }, { "text": "What documented controls govern powder handling, solution contact, spills and disposal?", "kind": "action", "id": "applicable-safety-record-q03" } ] }, { "id": "substance-versus-product-permission", "name": "Substance versus product permission", "description": "Prevent an identity or ingredient listing from being interpreted as permission for a particular therapeutic product.", "questions": [ { "text": "Does the cited regulatory record establish chemical identity, ingredient status or authorisation of a specific finished product?", "kind": "boundary", "id": "substance-versus-product-permission-q01" }, { "text": "Which jurisdiction, use category and effective date delimit the claimed permission?", "kind": "provenance", "id": "substance-versus-product-permission-q02" } ] } ] } ] }, { "id": "evidence-and-external-alignment", "name": "Evidence and external alignment", "description": "What the world already says about this thing, gathered so the model can be checked against it.", "rationale": "A model that cannot be lined up against existing standards, identifiers and practice cannot be adopted by anyone who already uses them.", "layers": [ { "id": "reported-evidence", "name": "Reported evidence", "description": "Findings from the breadth pass, kept separate from the structural claims.", "findings": [ { "id": "evidence-confidence-notes", "name": "Check these first", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ "This is recall only; no sources were consulted.", "Check authoritative substance records for hydration state, purity specifications, thermal properties and current hazard classification.", "Verify current national product authorizations and applicable pharmacopoeial requirements before adding regulatory claims." ], "questions": [ { "id": "evidence-confidence-notes-q01", "text": "Which of these check these first hold for the sense of dequalinium chloride this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-identifiers", "name": "Identifiers and schemes", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ { "scheme": "CAS Registry Number", "value_or_pattern": "522-51-0", "note": "Identifies dequalinium chloride." }, { "scheme": "Molecular formula", "value_or_pattern": "C30H40Cl2N4", "note": "Formula for the anhydrous dichloride salt." } ], "questions": [ { "id": "evidence-identifiers-q01", "text": "Which of these identifiers and schemes hold for the sense of dequalinium chloride this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-real-world-use", "name": "Real-world use", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ "Active ingredient in some vaginal antiseptic medicines used for bacterial vaginosis.", "Active ingredient in some antiseptic throat lozenges.", "Research reagent for studying mitochondrial accumulation and mitochondrial function." ], "questions": [ { "id": "evidence-real-world-use-q01", "text": "Which of these real-world use hold for the sense of dequalinium chloride this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-measurements", "name": "Typical measurements", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ { "quantity": "Molar mass of the anhydrous salt", "typical_range": "527.57", "unit": "g/mol" } ], "questions": [ { "id": "evidence-measurements-q01", "text": "Which of these typical measurements hold for the sense of dequalinium chloride this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-failure-modes-and-hazards", "name": "Failure modes and hazards", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ "Can cause local irritation at the site of application.", "Hypersensitivity reactions can occur.", "Antimicrobial activity does not establish safety for systemic administration.", "Purity, formulation and concentration affect suitability for pharmaceutical use." ], "questions": [ { "id": "evidence-failure-modes-and-hazards-q01", "text": "Which of these failure modes and hazards hold for the sense of dequalinium chloride this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-regional-variation", "name": "Regional variation", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ "Authorized medicinal formulations, indications and availability differ between countries." ], "questions": [ { "id": "evidence-regional-variation-q01", "text": "Which of these regional variation hold for the sense of dequalinium chloride this model covers, and on what evidence?", "kind": "provenance" } ] }, { "id": "evidence-neighbours", "name": "Neighbouring kinds and how to tell them apart", "description": "Recalled without web access and unsourced; every item is a lead to verify.", "evidence": [ { "name": "chloride", "difference": "Chloride is the anion Cl−; dequalinium chloride is a specific salt containing two chloride counterions per dequalinium dication." }, { "name": "dequalinium", "difference": "Dequalinium names the organic dication; dequalinium chloride specifies its chloride salt." }, { "name": "benzalkonium chloride", "difference": "Benzalkonium chloride is a mixture of alkylbenzyldimethylammonium chlorides; dequalinium chloride has a defined bis-quinolinium dication." }, { "name": "dequalinium chloride medicinal product", "difference": "A medicinal product includes a specified dose, dosage form and excipients; the substance itself does not." } ], "questions": [ { "id": "evidence-neighbours-q01", "text": "Which of these neighbouring kinds and how to tell them apart hold for the sense of dequalinium chloride this model covers, and on what evidence?", "kind": "provenance" } ] } ] } ] } ] }, "openQuestions": [ "Which current authoritative monographs define dequalinium chloride grades, assay bases, related-substance limits and water requirements?", "Which solid or hydrated forms are experimentally established, and which thermal and solubility measurements reliably distinguish them?", "What quantitative evidence establishes compatibility with likely excipients, solvents, filters and container materials?", "Which antimicrobial endpoints are reproducible under defined conditions, and where do matrix effects or assay carryover limit interpretation?", "Which current EC identity records, jurisdiction-specific hazard classifications, exposure limits and environmental disposal requirements apply to the supplied substance?" ], "statistics": { "bundles": 6, "layers": 11, "findings": 18, "questions": 35 } }