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allopurinol sodium

allopurinol sodium

CAS: 17795-21-0

Formula: C5H4N4NaO

SMILES: [Na+].O=C1NC=NC2=C1C=NN2

IUPAC: sodium 1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

InChI: InChI=1S/C5H4N4O.Na/c10-5-3-1-8-9-4(3)6-2-7-5;/h1-2H,(H2,6,7,8,9,10);/q;+1

Composition: C (37.75%), H (2.53%), N (35.21%), Na (14.45%), O (10.06%)

Molar Mass: 159.103

Atom Count: 15

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 159.02773146
Formal Charge 1
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey PTJRZVJXXNYNLN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.84
Topological Polar Surface Area 70.14
Polarizability 11.92
Ring Count 2
Rotatable Bond Count 0

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99% <10 Days 17795-21-0 Quote Only