Molecule ID: 10664

IUPAC Name: 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride

Description: The molecule is a hydrochloride obtained by combining pyridoxamine with two molar equivalents of hydrochloric acid. Used for treatment of diabetic nephropathy. It has a role as an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite, a human metabolite, a mouse metabolite, a plant metabolite, an iron chelator and a nephroprotective agent. It contains a pyridoxamine(2+).

SMILES: Cc1ncc(CO)c(CN)c1O.Cl.Cl

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

InChI: InChI=1S/C8H12N2O2.2ClH/c1-5-8(12)7(2-9)6(4-11)3-10-5;;/h3,11-12H,2,4,9H2,1H3;2*1H

Molecular Properties:
- Polar Surface Area: 79.4 Ų
- LogP: nan