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Chemical structure of 1,3,7-Trimethyluric Acid

GC41837

1,3,7-Trimethyluric Acid

Also known as 1,3,7-trimethyl-9H-purine-2,6,8-trione

1,3,7-Trimethyluric acid is a methyl derivative of uric acid and a product of C-8 oxidation of caffeine by cytochrome P450 enzymes

ChemicalCAS5415-44-1MW210.2FormulaC8H10N4O3
CAS number
5415-44-1
Molecular weight
210.2
Formula
C8H10N4O3
Solubility
DMF： 5 mg/ml,DMSO： 20 mg/ml,DMSO：PBS(pH7·2) (1：1)： 0·5 mg/ml
InChIKey
BYXCFUMGEBZDDI-UHFFFAOYSA-N
Catalogue number
GC41837
Brand
GLPBIO
Computed properties PubChem CID 79437 · XLogP -0.4 · TPSA 73 Ų · H-bond donors 1
XLogP
-0.4
TPSA
73 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
15

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

Computed descriptors from PubChem (CID 79437), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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