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Allopurinol Sodium

CAT: 0127-BUP10215-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10215-01Size:5 mg
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CAS Number
17795-21-0
Synonyms
Allopurinol sodium salt, Sodium allopurinol
Purity
=98%
Smiles
[Na+].O=C1NC=NC2=C1C=NN2

Chemical Information

Allopurinol Sodium

Allopurinol Sodium is the sodium form of allopurinol, which is a structural isomer of hypoxanthine. Allopurinol inhibits xanthine oxidase, an enzyme that converts oxypurines to uric acid. By blocking the production of uric acid, this agent decreases serum and urine concentrations of uric acid, thereby providing protection against uric acid-mediated end organ damage in conditions associated with excessive production of uric acid, i.e. the massive cell lysis associated with the treatment of some malignancies. (NCI04)

CAS Number17795-21-0
PubChem CID23662349
IUPAC Namesodium 1H-pyrazolo[5,4-d]pyrimidin-4-olate
Molecular FormulaC5H3N4NaO
Molecular Weight158.09
Topological Polar Surface Area77.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity136
SMILES
C1=NNC2=C1C(=NC=N2)[O-].[Na+]
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/p-1
InChIKey
PTJRZVJXXNYNLN-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Allopurinol Sodium
CAS: 17795-21-0
CID: 23662349
Formula: C5H3N4NaO
MW: 158.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.09
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass158.02045501
Monoisotopic Mass158.02045501
Topological Polar Surface Area77.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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