Diclofenac
Enable an agent to recognise diclofenac, assess the identity and fitness of a particular material, and determine which handling or use decisions require additional evidence.
Research draft, second pass
A second pass drafted this model: the structure a model of this thing needs, and what is known about it in the world. The line under this one says how the second half was obtained - researched against sources, or recalled without web access, in which case nothing here was read anywhere and every claim is a lead to verify. Unreviewed either way.
recalled by Codex without web access - no source was read
Researched by: Codex
Purpose and description
Enable an agent to recognise diclofenac, assess the identity and fitness of a particular material, and determine which handling or use decisions require additional evidence.
Diclofenac is a synthetic phenylacetic acid derivative and nonsteroidal anti-inflammatory drug that reduces prostaglandin synthesis through cyclooxygenase inhibition, producing analgesic, anti-inflammatory and antipyretic effects.
It can be Match an unknown or supplied material against diclofenac reference identity using appropriate analytical evidence.; Compare lots against a declared diclofenac specification and flag missing or conflicting quality evidence.; Convert between salt mass and diclofenac-equivalent content when counterion, stoichiometry, hydration and assay basis are established.; Assess whether a proposed solvent, pH, temperature or storage condition is supported by form-specific evidence.; Link diclofenac material to a finished product while preserving formulation and bioequivalence boundaries.; Determine evidence-supported handling and disposal requirements for the actual material and jurisdiction..
Distinguishing features
Verify the connectivity of 2-[2-(2,6-dichlorophenyl)amino]phenylacetic acid rather than identifying the substance from an NSAID label or molecular formula alone.
For the neutral free acid, reconcile C14H11Cl2NO2, CAS 15307-86-5 and PubChem CID 3033; salt records require their own identity evidence. Source: [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/Diclofenac).
Determine whether the material is free acid, a named salt or a solution containing ionised diclofenac; an assay reported as diclofenac equivalents does not settle that distinction.
Distinguish isolated diclofenac material from a tablet, gel or other mixture by documenting counterions, excipients and concentration.
Require analytical separation from related substances and transformation products; detecting a related molecular signal is insufficient to establish intact diclofenac.
Scope
+ Diclofenac molecular identity and distinctions between free acid, ionised species and salts
+ Composition, grade, purity and analytical identity of diclofenac material
+ Physical properties and stability under specified conditions
+ Substance-level pharmacological activity and links to exposure-dependent effects
+ Chemical hazards, environmental handling and jurisdiction-specific substance identity
- Finished medicine formulations, packaging, release mechanisms and product authorisations
- Patient diagnosis, prescribing, dosing and treatment selection
- Manufacturing plant design and synthesis process execution
- Independent models of counterions, metabolites and degradation products
- Environmental compartments, ecosystems and wastewater treatment systems
Characteristics
- Chemical identity
- Structure identifier and form-specific CAS, PubChem CID and EC number where verified Prevents identifiers for the free acid, salts and products from being treated as interchangeable.
- Chemical form
- Free acid; specified salt with counterion and stoichiometry; dissolved species; unresolved Determines the appropriate formula, mass basis and property references.
- Diclofenac content
- % mass fraction, mg/g, mg/mL or mol/L, with acid-equivalent or salt basis and dry or as-received basis Supports valid comparisons and prevents incorrect conversions between material forms.
- Grade and qualification
- Declared grade, governing specification and qualified, unqualified, rejected or unresolved status A chemical name or high assay alone does not establish suitability for pharmaceutical or analytical use.
- Impurity profile
- Individual and total impurities in %, ppm or mg/kg, with method and reporting limits Distinguishes intact diclofenac content from residual reagents, solvents and transformation products.
- Solid or solution state
- Phase; crystalline or amorphous state; identified solid form; hydration or solvation; temperature and pressure Material state can affect interpretation of dissolution, thermal behaviour and stability.
- Solubility
- mg/mL or mol/L with solvent, pH, temperature, chemical form and equilibrium protocol A solubility value without chemical form and solution conditions cannot reliably guide preparation.
- Acid dissociation
- pKa with temperature, medium, ionic strength and method Supports interpretation of ionisation and pH-dependent behaviour.
- Thermal behaviour
- Melting interval and decomposition onset in °C; boiling point only if experimentally meaningful, with pressure Separates phase changes from decomposition and avoids assigning unsupported thermal constants.
- Partitioning
- logP for a specified neutral species or logD at a specified pH, with solvent system and method Prevents neutral-species partitioning from being applied directly to ionised diclofenac.
- Stability status
- Within specification; suspected degradation; confirmed degradation; unassessed, with storage and exposure history Determines whether existing identity and assay evidence still represents the material.
- Biological activity evidence
- Target or endpoint linked to assay, species, concentration, exposure duration and source Keeps substance activity distinct from clinical benefit or safety in a particular product and patient.
- Hazard and exposure classification
- Verified GHS classification, SDS revision and occupational exposure limits or documented absence, with jurisdiction and material form Supports handling decisions without confusing medicine warnings with bulk chemical classifications.
- Regulatory applicability
- Substance or salt linked to jurisdiction, intended use, applicable rule, effective date and evidence Prevents a permission or restriction for one product, form or use from becoming a universal rule.
Also called
Where this came from
wikidata · CC0 1.0
Drafted structure
Bundle to layer to finding to question, as the second pass will find it: 6 bundles · 11 layers · 19 findings · 29 questions.
Diclofenac identity and form Establish which chemical entity a diclofenac record or sample denotes.
The diclofenac name can denote the free acid, an active moiety or material supplied as a salt.
Molecular recognition
Resolve structural identity and authoritative identifiers.
Free-acid reference
Diclofenac free acid provides the structural reference; PubChem identifies it as CID 3033 with formula C14H11Cl2NO2. Source: [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/Diclofenac).
- Which structure and identifiers establish that this record denotes diclofenac free acid? definition
- Which reference material and analytical evidence establish the sample's molecular identity? provenance
Salt and product boundaries
Separate molecular identity from supplied form and product membership.
Form-specific identity
Represent salts and containing products through explicit form and component relationships without creating unsupported registry splits.
- Is this material free acid, a specified salt or a mixture, and what establishes its counterion and stoichiometry? boundary
- Does each identifier refer to the diclofenac moiety, the complete salt or a finished product? definition
Diclofenac material behaviour Describe phase, ionisation and physical properties under recorded conditions.
Property values become misleading when the free acid, salts and different solution conditions are conflated.
Solid and thermal state
Characterise the actual solid and its response to temperature.
Conditioned thermal evidence
Attach thermal observations to identified chemical and solid forms, distinguishing melting from decomposition.
- What solid form, hydration or solvation state is supported by diffraction, spectroscopy or thermal analysis? measurement
- Which melting, decomposition or boiling observations are supported, under what pressure and measurement conditions? measurement
Solution speciation
Relate solution preparation and measured behaviour to pH and chemical form.
Solubility and ionisation
Record pKa, solubility and partitioning as condition-dependent evidence rather than interchangeable constants.
- What pH, solvent, temperature and starting form support each solubility or dissociation measurement? measurement
- Under the proposed preparation conditions, what evidence supports dissolution and continued solution stability without precipitation? action
Diclofenac quality and stability Determine what a specific lot contains and whether its qualification remains valid.
Identity, assay, impurity burden and storage history jointly determine material fitness.
Assay and qualification
Resolve quantitative content, grade and analytical acceptance.
Qualified diclofenac content
Require an explicit assay basis and specification before accepting content claims or converting between salt and acid-equivalent quantities.
- Is the assay expressed as free-acid equivalent or complete salt, and on a dry, anhydrous or as-received basis? measurement
- Which specification, method and lot-specific evidence establish the claimed grade and acceptable impurity profile? provenance
Storage and transformation
Evaluate changes after manufacture, opening or solution preparation.
Stability-supported status
Determine continued fitness from relevant stability evidence, including the ability to distinguish intact diclofenac from transformation products.
- What light, moisture, temperature, pH and container conditions are supported by stability evidence for this form? provenance
- Do storage excursions, new impurity peaks or assay changes require retesting, quarantine or rejection under the applicable specification? action
Diclofenac biological and product interface Connect substance-level activity to product and exposure models without transferring unsupported conclusions.
Pharmacological identity does not establish equivalent exposure or interchangeable use across formulations.
Substance activity
Record pharmacological classification and experimentally bounded activity.
NSAID activity evidence
Diclofenac is classified as an NSAID and prostaglandin-endoperoxide synthase inhibitor; quantitative activity must remain linked to its assay context. Source: [PubChem](https://pubchem.ncbi.nlm.nih.gov/compound/Diclofenac).
- Which target or functional endpoint establishes diclofenac activity in the cited assay? definition
- What species, assay system, concentration and exposure duration qualify each activity measurement? measurement
Formulation-dependent exposure
Locate equivalence and exposure decisions in the relevant finished-product evidence.
No automatic interchangeability
Equal stated milligram strengths do not establish bioequivalence between diclofenac formulations. Source: [DailyMed diclofenac potassium label](https://www.dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=3fd418ac-49f6-d520-e063-6394a90afbd8).
- Which linked product record identifies salt, strength basis, route and release characteristics? boundary
- What product-specific evidence is required before an agent may assert equivalence or substitution? action
Diclofenac hazards and controls Resolve handling, environmental and regulatory requirements for the material actually present.
Bulk substance handling, medicinal use and environmental release require different evidence and authority.
Material hazard evidence
Bind chemical hazard classifications and exposure controls to form and jurisdiction.
Applicable safety record
Use a verified safety record for the actual acid, salt or mixture; do not infer a universal GHS classification or exposure limit from its medicinal role.
- Which current SDS and jurisdictional classification apply to this diclofenac form and concentration? provenance
- Which occupational exposure limits and handling controls are documented, and which remain unestablished? action
Release and regulatory boundaries
Connect intended uses and waste streams to applicable restrictions and environmental evidence.
Use and disposal constraints
Record restrictions and environmental endpoints with their species, exposure, jurisdiction and date rather than applying an undifferentiated safe-or-unsafe label.
- Which current rules apply to this material's intended pharmaceutical, laboratory, veterinary or other use? boundary
- What evidence and local requirements determine containment and disposal for diclofenac-bearing solids or solutions? action
Evidence and external alignment What the world already says about this thing, gathered so the model can be checked against it.
A model that cannot be lined up against existing standards, identifiers and practice cannot be adopted by anyone who already uses them.
Reported evidence
Findings from the breadth pass, kept separate from the structural claims.
Check these first
Recalled without web access and unsourced; every item is a lead to verify.
- This is recalled knowledge; no sources were consulted.
- The listed salts are related substance forms, not interchangeable identifiers for the free acid; verify properties and dose equivalence for each form.
- Check current monograph editions, local authorization, form-specific safety data and experimental conditions before using regulatory or physical-property information.
- Which of these check these first hold for the sense of Diclofenac this model covers, and on what evidence? provenance
Kinds and varieties
Recalled without web access and unsourced; every item is a lead to verify.
- Diclofenac free acid
- Diclofenac sodium
- Diclofenac potassium
- Diclofenac diethylamine
- Diclofenac epolamine
- Which of these kinds and varieties hold for the sense of Diclofenac this model covers, and on what evidence? provenance
Identifiers and schemes
Recalled without web access and unsourced; every item is a lead to verify.
- CAS Registry Number - 15307-86-5 - Identifies diclofenac free acid; its salts have separate identifiers.
- PubChem CID - 3033 - Identifies diclofenac.
- Molecular formula - C14H11Cl2NO2 - Composition of the neutral free acid, excluding counterions.
- WHO ATC classification - M01AB05 - Diclofenac classified for systemic anti-inflammatory and antirheumatic use; other routes and combinations can have different codes.
- Which of these identifiers and schemes hold for the sense of Diclofenac this model covers, and on what evidence? provenance
Standards and regulation
Recalled without web access and unsourced; every item is a lead to verify.
- United States Pharmacopeia-National Formulary, issued by USP: diclofenac sodium monographs establish pharmaceutical identity and quality requirements.
- European Pharmacopoeia, published by the Council of Europe's EDQM: diclofenac sodium monograph establishes pharmaceutical quality requirements.
- Which of these standards and regulation hold for the sense of Diclofenac this model covers, and on what evidence? provenance
Real-world use
Recalled without web access and unsourced; every item is a lead to verify.
- Symptomatic relief of pain and inflammation in arthritic conditions.
- Treatment of acute musculoskeletal and postoperative pain using appropriate medicinal formulations.
- Treatment of primary dysmenorrhoea.
- Topical treatment of localized joint or soft-tissue pain.
- Ophthalmic control of inflammation associated with eye surgery.
- Which of these real-world use hold for the sense of Diclofenac this model covers, and on what evidence? provenance
Typical measurements
Recalled without web access and unsourced; every item is a lead to verify.
- Molar mass of the free acid - 296.15 - g/mol
- Melting point of the free acid - Approximately 165-166 - °C
- Which of these typical measurements hold for the sense of Diclofenac this model covers, and on what evidence? provenance
Failure modes and hazards
Recalled without web access and unsourced; every item is a lead to verify.
- Gastrointestinal ulceration, bleeding and perforation, particularly with systemic exposure.
- Increased risk of cardiovascular thrombotic events, including myocardial infarction and stroke.
- Kidney injury, fluid retention and worsening hypertension or heart failure.
- Liver injury and hypersensitivity reactions, including bronchospasm in susceptible individuals.
- Veterinary residues in livestock carcasses can cause fatal kidney injury in susceptible vultures.
- Which of these failure modes and hazards hold for the sense of Diclofenac this model covers, and on what evidence? provenance
Regional variation
Recalled without web access and unsourced; every item is a lead to verify.
- Prescription status and availability without prescription vary by jurisdiction, strength and route of administration.
- Approved indications, salt forms and marketed formulations differ between countries.
- Veterinary restrictions differ between jurisdictions because of risks to scavenging birds.
- Which of these regional variation hold for the sense of Diclofenac this model covers, and on what evidence? provenance
Neighbouring kinds and how to tell them apart
Recalled without web access and unsourced; every item is a lead to verify.
- Diclofenac-containing medicine - A medicine is a finished formulation with a specified dose, route and excipients; diclofenac is its active chemical component.
- Aceclofenac - A chemically distinct, closely related NSAID with an ester-containing structure and separate substance identity.
- Ibuprofen - A propionic acid derivative NSAID with a different molecular structure; shared therapeutic effects do not establish chemical identity.
- Which of these neighbouring kinds and how to tell them apart hold for the sense of Diclofenac this model covers, and on what evidence? provenance
What the second pass must settle
- Does the existing registry or world-model catalogue already cover diclofenac or any named salts, and how should those records link without duplicating the authoritative concept?
- Which verified EC identifiers, salt-specific identifiers and reference standards should anchor recognition of the forms encountered in this registry?
- Which primary measurements establish form-specific melting behaviour, decomposition, solubility, pKa and partitioning, and is a meaningful boiling point available?
- Which pharmacopoeial or other specifications govern the intended grades, including impurity limits, solid-form requirements and retest conditions?
- Which current jurisdictions and uses must be covered for GHS classifications, occupational exposure limits, environmental restrictions and disposal requirements?