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Chemical structure of Paraxanthine

GC31210

Paraxanthine

Also known as 1,7-dimethyl-3H-purine-2,6-dione

A PDE9 inhibitor and A1 and A2 receptor antagonist

ChemicalCAS611-59-6MW180.17FormulaC7H8N4O2
CAS number
611-59-6
Molecular weight
180.17
Formula
C7H8N4O2
Solubility
DMF： 20 mg/mL,DMSO： 30 mg/mL,DMSO：PBS(pH 7·2) (1：3)： 0·25 mg/mL,Ethanol： 0·5 mg/mL
InChIKey
QUNWUDVFRNGTCO-UHFFFAOYSA-N
Catalogue number
GC31210
Brand
GLPBIO
Computed properties PubChem CID 4687 · XLogP -0.2 · TPSA 67.2 Ų · H-bond donors 1
XLogP
-0.2
TPSA
67.2 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
13

SMILES CN1C=NC2=C1C(=O)N(C(=O)N2)C

Computed descriptors from PubChem (CID 4687), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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