Basic information
- CAS
51579-82-9- Standard SMILES
Nc1c(CC(=O)O)cccc1C(=O)c1ccccc1- InChIKey
SOYCMDCMZDHQFP-UHFFFAOYSA-N- Molecular formula
- C15H13NO3
- Average molar mass
- 255.27 g/mol
- Monoisotopic mass
- 255.08954328
Overview
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-).
Names & identifiers
- Preferred name
- Amfenac
- IUPAC
- 2-(2-amino-3-benzoylphenyl)acetic acid
- English name
- amfenac
- Molecular formula
- C15H13NO3
- Molecular weight
- 255.27
Names & synonyms
Amfenac51579-82-9Amfenaco(2-Amino-3-benzoylphenyl)acetic acidAmfenacum(2-Amino-3-benzoylphenyl)essigsaeureNSC-309467CHEBI:7591528O5C1J38ADTXSID901995332-(2-amino-3-(benzoyl)phenyl)acetic acid2-[2-amino-3-(benzoyl)phenyl]acetic acid
Show more names
SOYCMDCMZDHQFP-UHFFFAOYSA-NNepafenac Impurity 5(Amfenac)2-Amino-3-benzoylbenzeneacetic acidBenzeneacetic acid, 2-amino-3-benzoyl-Amfenac D5Q: What is Amfenac D5 Q: What is the CAS Number of Amfenac D5 Q: What is the storage condition of Amfenac D5 Q: What are the applications of Amfenac D5
RefChem:111914DTXCID501220242-Amino-3-benzoylbenzeneacetic acid, monosodium salt, monohydrate2-(2-amino-3-benzoylphenyl)acetic acidAmfenac (INN)AMFENAC [INN]NSC 309467Amfenac sodium salt hydrate
Database identifiers
- CAS
51579-82-9- PubChem CID
- 2136
- DTXSID
DTXSID90199533- ChEMBL
CHEMBL25146- ChEBI
CHEBI:75915- UNII
- 28O5C1J38A
- Nikkaji
- J11.225I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Melting point
- 121 · 121-123° (dec)
- Boiling point
- 398.5 °C · 398.5°C (rough estimate)
- Density
- 1.1654 · 1.1654 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- FDA UNII
- 28 O5C1J38A · 28O5C1J38A
- Toxicity
- 50 in · LD50 in mice, rats (mg/kg): 615, 311 orally (Sancilio)
Safety & regulation
Safety data
- Toxicity
- LD50 in mice, rats (mg/kg): 615, 311 orally (Sancilio)
Chemistry & industry
Pharmacology
Mechanism of ActionAmfenac mediates its anti-inflammatory effects by inhibiting cyclo-oxygenases.
Applications
UsesAnti-inflammatory.
Upstream & downstream products
Upstream raw materials
Suppliers13 total
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Additional notes
DefinitionChEBI: 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 fo the treatment of pain and inflammation following cataract surgery.
Related reactions
19 records
Compound notes
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