Basic information
- CAS
27693-67-0- Standard SMILES
O=C(O)c1cccc(Nc2ccccc2C(=O)O)c1- InChIKey
XBGBRSWGOUAIBM-UHFFFAOYSA-N- Molecular formula
- C14H11NO4
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.06880783
Overview
a transthyretin amyloid fibril inhibitor; structure in first source
Names & identifiers
- Preferred name
- 2-((3-Carboxyphenyl)amino)benzoic acid
- IUPAC
- 2-(3-carboxyanilino)benzoic acid
- English name
- 2,3'-Imino-dibenzoic acid
- Molecular formula
- C14H11NO4
- Molecular weight
- 257.24
Names & synonyms
27693-67-02-((3-Carboxyphenyl)amino)benzoic acidN-(3-Carboxyphenyl)anthranilic acidH1C37ZB0P3DTXSID201820542-[(3-Carboxyphenyl)amino]benzoic acidRefChem:908987DTXCID30104545N-(m-carboxyphenyl)anthranilic acid2-(3-carboxyanilino)benzoic acidNSC113996NSC-113996
Show more names
2,3'-Imino-dibenzoic acidBenzoic acid, 2-[(3-carboxyphenyl)amino]-
CHEMBL348522Benzoic acid, 2,3'-iminodi-NSC 113996Anthranilic acid, N-(m-carboxyphenyl)-BRN 2944109UNII-H1C37ZB0P34-14-00-01110 (Beilstein Handbook Reference)SCHEMBL2294168
Database identifiers
- CAS
27693-67-0- PubChem CID
- 97298
- DTXSID
DTXSID20182054- ChEMBL
CHEMBL348522- UNII
- H1C37ZB0P3
- Nikkaji
- J3.510.574C
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 1 C37ZB0P3 · H1C37ZB0P3
Chemistry & industry
Suppliers7 total
APAC Pharmaceutical, LLC[email protected]
Leancare Ltd.[email protected]
AlliChem, LLC[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
CHEMPACIFIC[email protected]
CHEMICAL LAND21[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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