Molecule ID: 135413505

IUPAC Name: disodium;2-carboxy-4-[(3-carboxy-4-oxidophenyl)diazenyl]phenolate

Description: The molecule is an organic sodium salt that is the disodium salt of 3,3'-azobis(6-hydroxybenzoic acid) (olsalazine). Effective in the treatment of inflammatory bowel disease and ulcerative colitis. Mechanism of action unknown, but appears to be topical It has a role as a non-steroidal anti-inflammatory drug and a prodrug. It contains an olsalazine(2-).

SMILES: O=C(O)c1cc(N=Nc2ccc([O-])c(C(=O)O)c2)ccc1[O-].[Na+].[Na+]

SELFIES: [O][=C][Branch1][C][O][C][=C][C][Branch2][Ring1][Branch1][N][=N][C][=C][C][=C][Branch1][C][O-1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][C][O-1].[Na+1].[Na+1]

InChI: InChI=1S/C14H10N2O6.2Na/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);;/q;2*+1/p-2

Molecular Properties:
- Polar Surface Area: 145.0 Ų
- LogP: nan