Basic information
- CAS
77605-72-2- Standard SMILES
O=C(O)c1ccccc1Nc1cccc(Cl)c1CO- InChIKey
BMLZYLYIEWXTCM-UHFFFAOYSA-N- Molecular formula
- C14H12ClNO3
- Average molar mass
- 277.7 g/mol
- Monoisotopic mass
- 277.0505709
Overview
urinary metabolite of clotame; structure in first source
Names & identifiers
- Preferred name
- N-(3-chloro-2-hydroxymethylphenyl)anthranilic acid
- IUPAC
- 2-[3-chloro-2-(hydroxymethyl)anilino]benzoic acid
- English name
- N-(3-chloro-2-hydroxymethylphenyl)anthranilic acid
- Molecular weight
- 0
Names & synonyms
77605-72-2N-(3-Chloro-2-hydroxymethylphenyl)anthranilic acidDTXSID30228270BENZOIC ACID, 2-((3-CHLORO-2-(HYDROXYMETHYL)PHENYL)AMINO)-RefChem:926770N-3-Cl-2-HMPADTXCID501507612-[3-chloro-2-(hydroxymethyl)anilino]benzoic acidN-(2-Hydroxymethyl-3-chlorophenyl)anthranilic acid65A70DKY8VUNII-65A70DKY8V2-{[3-Chloro-2-(hydroxymethyl)phenyl]amino}benzoic acid
Show more names
N-(2'-hydroxymethyl-3'-chloro-phenyl)anthranilic acid2-((3-CHLORANYL-2-(HYDROXYMETHYL)PHENYL)AMINO)BENZOIC ACID
Database identifiers
- CAS
77605-72-2- PubChem CID
- 53703
- DTXSID
DTXSID30228270- UNII
- 65A70DKY8V
- Nikkaji
- J604.517K
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- FDA UNII
- 65 A70DKY8V · 65A70DKY8V
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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