3'-Hydroxydiclofenac
Also known as (o-(2,6-Dichloro-3-hydroxyanilino)phenyl)acetic acid, Benzeneacetic acid, 2-((2,6-dichloro-3-hydroxyphenyl)amino)-, 2-(2-((2,6-dichloro-3-hydroxyphenyl)amino)phenyl)acetic acid
Key facts
What buyers check first
- CAS number
- 69002-85-3
- Formula
- C14H11Cl2NO3
- Molar mass
- 312.15 g/mol
- HS code
- 292250
- Category
- Impurities and reference standards
What is 3'-Hydroxydiclofenac?
Plain description, key identifiers and synonyms
3'-hydroxydiclofenac is an organochlorine compound that is the 3'-hydroxylated metabolite of diclofenac. It has a role as a drug metabolite and an allergen. It is a dichlorobenzene, a monocarboxylic acid, a member of phenols and a secondary amino compound. It is functionally related to a diclofenac.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2-[2-(2,6-dichloro-3-hydroxyanilino)phenyl]acetic acid
- CAS number
- 69002-85-3 CAS number cross-checked
- Molecular formula
- C14H11Cl2NO3
- UNII
- 8489I2R79K
- InChIKey
- HYPJZSYXUWYJDG-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H11Cl2NO3/c15-9-5-6-11(18)13(16)14(9)17-10-4-2-1-3-8(10)7-12(19)20/h1-6,17-18H,7H2,(H,19,20)
- SMILES (canonical and isomeric)
- C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC(=C2Cl)O)Cl
Synonyms
- (o-(2,6-Dichloro-3-hydroxyanilino)phenyl)acetic acid
- Benzeneacetic acid, 2-((2,6-dichloro-3-hydroxyphenyl)amino)-
- 2-(2-((2,6-dichloro-3-hydroxyphenyl)amino)phenyl)acetic acid
- 2-{2-[(2,6-dichloro-3-hydroxyphenyl)amino]phenyl}acetic acid
- Benzeneacetic acid, 2-[(2,6-dichloro-3-hydroxyphenyl)amino]-
- 3'-Hydroxy Diclofenac
- 2-[2-(2,6-dichloro-3-hydroxyanilino)phenyl]acetic acid
- 3'-OH DCF
- {2-[(2,6-dichloro-3-hydroxyphenyl)amino]phenyl}acetic acid
- Diclofenac Impurity 44
- [2-(2,6-Dichloro-3-hydroxyanilino)phenyl]acetic acid
- Acetic acid, (o-(2,6-dichloro-3-hydroxyanilino)phenyl)-
- 3''''-Hydroxy-Diclofenac
- 3'-Hydroxy-diclofenac
- Diclofenac Sodium Impurity 45
- 3''-Hydroxy-diclofenac
- Hydroxydiclofenac, 3'-
- 3 inverted exclamation mark -Hydroxy Diclofenac
- 2-[2-(2,6-dichloro-3-hydroxy-anilino)phenyl]acetic acid
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 312.15 g/molcalc.Computed value |
|---|---|
| Exact mass | 311.0116 Dacalc.Computed value |
| LogP (octanol/water) | 4.07calc.Computed value |
| Topological polar surface area | 69.56 Ųcalc.Computed value |
| Hydrogen bond donors | 3calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 4calc.Computed value |
| Heavy atoms | 20calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.07calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
c1ccc(Nc2ccccc2)cc1
2 rings, 13 atoms, the Diphenylamine ring system.
3,181 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
3'-Hydroxydiclofenac suppliers
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3'-Hydroxydiclofenac price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Roles
- aetiopathogenetic role
- allergen
- animal metabolite
- drug metabolite
- eukaryotic metabolite
- human metabolite
- human xenobiotic metabolite
- mammalian metabolite
- metabolite
- xenobiotic metabolite
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code 3'-Hydroxydiclofenac is traded under.
Amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function
- China39.2%
- United Kingdom27.1%
- India * partner reported4.8%
- United States20.7%
- Germany7.6%
- Italy6.6%
* Partner reported figures, a lower bound.
The HS code shown for 3'-Hydroxydiclofenac is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![[2-(2-Chloro-6-hydroxyanilino)phenyl]acetic acid chemical structure, C14H12ClNO3, CAS 2143472-42-6](/s/BKAGDCNIMWLNRF-UHFFFAOYSA-N.svg)
![Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, ammonium salt (1:1) chemical structure, C14H14Cl2N2O2](/s/id-67320274.svg)
![[2-(2,6-Dichloro-3-methoxyanilino)phenyl]acetic acid chemical structure, C15H13Cl2NO3, CAS 127792-26-1](/s/VSQJYXUTWNNHDZ-UHFFFAOYSA-N.svg)
![2-[(2-Chloro-6-iodophenyl)amino]benzeneacetic acid chemical structure, C14H11ClINO2, CAS 127792-24-9](/s/UNFZQVFWFZNVCY-UHFFFAOYSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
![2-[1-(3,4-Dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetic acid chemical structure, C14H11Cl2NO3, CAS 866152-55-8](/s/VFSUSQCHONHNDV-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about 3'-Hydroxydiclofenac, based on the data on this page
What is 3'-Hydroxydiclofenac?
Guides for buyers
Practical guides that help when you source, ship or handle 3'-Hydroxydiclofenac
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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