Molecule ID: 119560

IUPAC Name: [4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methylpyridin-3-yl]methanol

Description: The molecule is a sulfoxide that is omeprazole in which one of the methyl hydrogens at position 5 on the pyridine ring is substituted by a hydroxy group. It has a role as a drug metabolite. It is a member of benzimidazoles, a member of pyridines, a sulfoxide and an aromatic ether. It derives from an omeprazole.

SMILES: COc1ccc2nc(S(=O)Cc3ncc(CO)c(OC)c3C)[nH]c2c1

SELFIES: [C][O][C][=C][C][=C][N][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][C][C][=N][C][=C][Branch1][Ring1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][NH1][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1]

InChI: InChI=1S/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)

Molecular Properties:
- Polar Surface Area: 117.0 Ų
- LogP: 1.0