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Allopurinol 500mg

CAT: 0628-A10055-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A10055-500Size:500 mg
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CAS Number
315-30-0

Chemical Information

Allopurinol

Allopurinol is a bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring. It has a role as an antimetabolite, an EC 1.17.3.2 (xanthine oxidase) inhibitor, a gout suppressant and a radical scavenger. It is an organic heterobicyclic compound and a nucleobase analogue. It derives from a hydride of a 1H-pyrazolo[4,3-d]pyrimidine.

CAS Number315-30-0
PubChem CID135401907
IUPAC Name1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
Molecular FormulaC5H4N4O
Molecular Weight136.11
XLogP-0.7
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity190
SMILES
C1=NNC2=C1C(=O)NC=N2
InChI
InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
InChIKey
OFCNXPDARWKPPY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Allopurinol
CAS: 315-30-0
CID: 135401907
Formula: C5H4N4O
MW: 136.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.11
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass136.03851076
Monoisotopic Mass136.03851076
Topological Polar Surface Area70.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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