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Chemical structure of Allopurinol-d2

GC76023

Allopurinol-d2

Also known as 3,6-dideuterio-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one

Allopurinol-d2 is deuterium labeled Allopurinol

ChemicalCAS916979-34-5MW138.12FormulaC5H2D2N4O
CAS number
916979-34-5
Molecular weight
138.12
Formula
C5H2D2N4O
Solubility
H2O： 1 mg/mL (7·24 mM; ultrasonic and adjust pH to 11 with NaOH)
InChIKey
OFCNXPDARWKPPY-QDNHWIQGSA-N
Catalogue number
GC76023
Brand
GLPBIO
Computed properties PubChem CID 46780113 · XLogP -0.5 · TPSA 65.9 Ų · H-bond donors 2
XLogP
-0.5
TPSA
65.9 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
10

SMILES [2H]C1=C2C(=NC(=NC2=O)[2H])NN1

Computed descriptors from PubChem (CID 46780113), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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