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Chemical structure of Metadoxine

GC33771

Metadoxine

Also known as 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;(2S)-5-oxopyrrolidine-2-carboxylic acid

Metadoxine blocks adipocyte differentiation in association with inhibition of the protein kinase A-cAMP response element binding protein (PKA-CREB) pathway

ChemicalCAS74536-44-0MW298.29FormulaC13H18N2O6
CAS number
74536-44-0
Molecular weight
298.29
Formula
C13H18N2O6
Solubility
Water ： ≥ 155 mg/mL (519·63 mM)
InChIKey
RYKKQQUKJJGFMN-HVDRVSQOSA-N
Catalogue number
GC33771
Brand
GLPBIO
Computed properties PubChem CID 115198 · TPSA 140 Ų · H-bond donors 5 · H-bond acceptors 7
TPSA
140 Ų
H-bond donors
5
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
21

SMILES CC1=NC=C(C(=C1O)CO)CO.C1CC(=O)N[C@@H]1C(=O)O

Computed descriptors from PubChem (CID 115198), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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