Molecular Identity
pyridoxamine
4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID: 1052
Pyridoxamine is a monohydroxypyridine that is pyridine substituted by a hydroxy group at position 3, an aminomethyl group at position 4, a hydroxymethyl group at position 5 and a methyl group at position 2. The 4-aminomethyl form of vitamin B6, it is used (in the form of the hydrochloride salt) for treatment of diabetic nephropathy. It has a role as an iron chelator, a mouse metabolite, a Saccharomyces cerevisiae metabolite, a nephroprotective agent, a plant metabolite, an Escherichia coli metabolite and a human metabolite. It is a vitamin B6, a monohydroxypyridine, a hydroxymethylpyridine and an aminoalkylpyridine. It is a conjugate base of a pyridoxaminium(1+).
2D Structure
Properties
C8H12N2O2
Molecular Formula
168.19
Molecular Weight
g/mol
168.0899
Exact Mass
Da
-1
XLogP
Drug-like (Lipinski: < 5)
79.4
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
143
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
pyridoxamine85-87-0Pyridoxylamine4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL3-Pyridinemethanol, 4-(aminomethyl)-5-hydroxy-6-methyl-CHEBI:16410DTXSID60469296466NM3W93RefChem:177725DTXCID40269294-(azaniumylmethyl)-5-(hydroxymethyl)-2-methylpyridin-3-olate201-640-5EINECS 201-640-5MFCD00464815NCIStruc1_000457
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to pyridoxamine
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