Molecule ID: 22419

IUPAC Name: 5-[(3-carboxy-4-hydroxyphenyl)diazenyl]-2-hydroxybenzoic acid

Description: The molecule is an azobenzene that consists of two molecules of 4-aminosalicylic acid joined by an azo linkage. A prodrug for mesalazine, an anti-inflammatory drug, it is used (as the disodium salt) in the treatment of inflammatory bowel disease. It has a role as a prodrug and a non-steroidal anti-inflammatory drug. It is a dicarboxylic acid and a member of azobenzenes. It derives from a salicylic acid. It is a conjugate acid of an olsalazine(2-).

SMILES: O=C(O)c1cc(N=Nc2ccc(O)c(C(=O)O)c2)ccc1O

SELFIES: [O][=C][Branch1][C][O][C][=C][C][Branch2][Ring1][Branch1][N][=N][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][C][O]

InChI: InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)

Molecular Properties:
- Polar Surface Area: 140.0 Ų
- LogP: 3.1