Molecular Identity
Pyridoxine
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID: 1054
Pyridoxine is a hydroxymethylpyridine with hydroxymethyl groups at positions 4 and 5, a hydroxy group at position 3 and a methyl group at position 2. The 4-methanol form of vitamin B6, it is converted intoto pyridoxal phosphate which is a coenzyme for synthesis of amino acids, neurotransmitters, sphingolipids and aminolevulinic acid. It has a role as a cofactor, a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is a member of methylpyridines, a vitamin B6, a monohydroxypyridine and a hydroxymethylpyridine.
2D Structure
Properties
C8H11NO3
Molecular Formula
169.18
Molecular Weight
g/mol
169.0739
Exact Mass
Da
-0.8
XLogP
Drug-like (Lipinski: < 5)
73.6
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
4
H-Bond Acceptors
142
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NC=C(C(=C1O)CO)COIsomeric SMILES
SMILES: CC1=NC=C(C(=C1O)CO)COSynonyms(20)
pyridoxine65-23-6PyridoxolPyridoxin3-hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridineAdermineGravidoxHydoxinPyridoxolum4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-5-Hydroxy-6-methyl-3,4-pyridinedimethanolPiridoxinaPyridoxinumPiridossina
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Pyridoxine
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