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Chemical structure of 1,7-Dimethyluric Acid

GC40328

1,7-Dimethyluric Acid

Also known as 1,7-dimethyl-3,9-dihydropurine-2,6,8-trione

1,7-Dimethyluric acid is a metabolite of caffeine produced by the action of xanthine oxidase on paraxanthine

ChemicalCAS33868-03-0MW196.2FormulaC7H8N4O3
CAS number
33868-03-0
Molecular weight
196.2
Formula
C7H8N4O3
Solubility
Soluble in DMSO
InChIKey
NOFNCLGCUJJPKU-UHFFFAOYSA-N
Catalogue number
GC40328
Brand
GLPBIO
Computed properties PubChem CID 91611 · XLogP -0.2 · TPSA 81.8 Ų · H-bond donors 2
XLogP
-0.2
TPSA
81.8 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
14

SMILES CN1C2=C(NC1=O)NC(=O)N(C2=O)C

Computed descriptors from PubChem (CID 91611), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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