Amfenac
Also known as Amfenaco, (2-Amino-3-benzoylphenyl)acetic acid, Amfenacum
Key facts
What buyers check first
- CAS number
- 51579-82-9
- Formula
- C15H13NO3
- Molar mass
- 255.27 g/mol
- HS code
- 292250
- Category
- Impurities and reference standards
What is Amfenac?
Plain description, key identifiers and synonyms
Amfenac is an oxo monocarboxylic acid that is benzophenone in which one of the phenyl groups is substituted by an amino group and a carboxymethyl group at position 2 and 3, respectively. The corresponding carboxamide, nepafenac, is a prodrug of amfenac and is used for the treatment of pain and inflammation following cataract surgery. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antipyretic, a cyclooxygenase 2 inhibitor and a cyclooxygenase 1 inhibitor. It is a member of benzophenones, an amino acid, an oxo monocarboxylic acid, a substituted aniline and a primary amino compound. It is a conjugate acid of an amfenac(1-).
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2-(2-amino-3-benzoylphenyl)acetic acid
- CAS number
- 51579-82-9 CAS number cross-checked
- Molecular formula
- C15H13NO3
- UNII
- 28O5C1J38A
- MDL number
- MFCD00866133
- InChIKey
- SOYCMDCMZDHQFP-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H13NO3/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10/h1-8H,9,16H2,(H,17,18)
- SMILES (canonical and isomeric)
- C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)O
Synonyms
- Amfenaco
- (2-Amino-3-benzoylphenyl)acetic acid
- Amfenacum
- (2-Amino-3-benzoylphenyl)essigsaeure
- 2-(2-amino-3-(benzoyl)phenyl)acetic acid
- 2-[2-amino-3-(benzoyl)phenyl]acetic acid
- 2-Amino-3-benzoylbenzeneacetic acid, monosodium salt, monohydrate
- 2-(2-amino-3-benzoylphenyl)acetic acid
- Amfenac (INN)
- Amfenac sodium salt hydrate
- 2-Amino-3-Benzoylphenylacetic Acid
- 2-amino-3-benzoylbenzeneacetic acid
- Fenazox (Japan)
- Nepafenac Impurity 5(Amfenac)
- 2-(2-amino-3-benzoylphenyl)aceticacid
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 | 255.27 g/molcalc.Computed value |
|---|---|
| Exact mass | 255.0895 Dacalc.Computed value |
| LogP (octanol/water) | 2.13calc.Computed value |
| Topological polar surface area | 80.39 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 4calc.Computed value |
| Heavy atoms | 19calc.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
O=C(c1ccccc1)c1ccccc1
2 rings, 14 atoms, the Benzophenone ring system.
5,108 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.
Amfenac suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
Post one free request and suppliers who make or trade Amfenac can send you quotes. Your contact details stay private until you accept a quote.
Amfenac 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
Industries and functions
Roles
- analgesic
- anti-inflammatory agent
- anti-inflammatory drug
- antipyretic
- antirheumatic drug
- cyclooxygenase 1 inhibitor
- cyclooxygenase 2 inhibitor
- enzyme inhibitor
- non-narcotic analgesic
- non-steroidal anti-inflammatory drug
- pharmaceutical
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 Amfenac 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 Amfenac 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
Salt and hydrate forms
Records that share this compound as their parent
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
Same formula isomers
Different compounds that share this molecular formula
Frequently asked questions
Quick answers about Amfenac, based on the data on this page
What is Amfenac?
What is the CAS number of Amfenac?
What is the molecular formula and weight of Amfenac?
What is Amfenac used for?
Is Amfenac hazardous?
What is the HS code of Amfenac?
Where can I buy Amfenac?
What is the price of Amfenac?
Guides for buyers
Practical guides that help when you source, ship or handle Amfenac
- 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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