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Chemistry

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Also known as: 17795-21-0, Sodium 1h-pyrazolo[3,4-d]pyrimidin-4-olate, Sodium allopurinol, Allopurinol sodium salt, Aloprim, Sodium;1h-pyrazolo[3,4-d]pyrimidin-4-olate
Molecular Formula
C5H3N4NaO
Molecular Weight
158.09  g/mol
InChI Key
PTJRZVJXXNYNLN-UHFFFAOYSA-M

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)
1 2D Structure

Allopurinol Sodium

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;1H-pyrazolo[3,4-d]pyrimidin-4-olate
2.1.2 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
2.1.3 InChI Key
PTJRZVJXXNYNLN-UHFFFAOYSA-M
2.1.4 Canonical SMILES
C1=NNC2=C1C(=NC=N2)[O-].[Na+]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 17795-21-0

2. Sodium 1h-pyrazolo[3,4-d]pyrimidin-4-olate

3. Sodium Allopurinol

4. Allopurinol Sodium Salt

5. Aloprim

6. Sodium;1h-pyrazolo[3,4-d]pyrimidin-4-olate

7. Allopurinol Sodium (aloprim)

8. 1,5-dihydro-4h-pyrazolo(3,4-d)pyrimidin-4-one, Monosodium Salt

9. 428673rc2z

10. Einecs 241-771-5

11. Nsc 108836

12. Unii-428673rc2z

13. 1h-pyrazolo(3,4-d)pyrimidin-4-ol, Monosodium Salt

14. 4h-pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-, Monosodium Salt

15. Allopurinolsodium

16. Schembl17223898

17. 1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one,monosodiumsalt

18. Akos015899245

19. Ac-4257

20. Sodium 1h-pyrazolo[3,4-d]pyrimidine-4-olate

21. F76872

22. A881435

23. Q27258510

2.3 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 158.09 g/mol
Molecular Formula C5H3N4NaO
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass158.02045501 g/mol
Monoisotopic Mass158.02045501 g/mol
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
4 Drug and Medication Information
4.1 Drug Information
1 of 4  
Drug NameAllopurinol sodium
PubMed HealthAllopurinol (Injection)
Drug ClassesAntigout, Urinary Stone Agent
Active IngredientAllopurinol sodium
Dosage FormInjectable
RouteInjection
Strengtheq 500mg base/vial
Market StatusPrescription
CompanyEurohlth Intl

2 of 4  
Drug NameAloprim
Active IngredientAllopurinol sodium
Dosage FormInjectable
RouteInjection
Strengtheq 500mg base/vial
Market StatusPrescription
CompanyMylan Institutional

3 of 4  
Drug NameAllopurinol sodium
PubMed HealthAllopurinol (Injection)
Drug ClassesAntigout, Urinary Stone Agent
Active IngredientAllopurinol sodium
Dosage FormInjectable
RouteInjection
Strengtheq 500mg base/vial
Market StatusPrescription
CompanyEurohlth Intl

4 of 4  
Drug NameAloprim
Active IngredientAllopurinol sodium
Dosage FormInjectable
RouteInjection
Strengtheq 500mg base/vial
Market StatusPrescription
CompanyMylan Institutional

5 Pharmacology and Biochemistry
5.1 FDA Pharmacological Classification
5.1.1 Pharmacological Classes
Xanthine Oxidase Inhibitors [MoA]; Xanthine Oxidase Inhibitor [EPC]

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