Sodium Allopurinol

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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 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

Sodium Allopurinol

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 Formula	C₅H₃N₄NaO
Molecular Weight	158.09 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	158.02045501 g/mol
Monoisotopic Mass	158.02045501 g/mol
Topological Polar Surface Area	77.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Drug and Medication Information

4.1 Drug Information

1 of 4
Drug Name	Allopurinol sodium
PubMed Health	Allopurinol (Injection)
Drug Classes	Antigout, Urinary Stone Agent
Active Ingredient	Allopurinol sodium
Dosage Form	Injectable
Route	Injection
Strength	eq 500mg base/vial
Market Status	Prescription
Company	Eurohlth Intl

2 of 4
Drug Name	Aloprim
Active Ingredient	Allopurinol sodium
Dosage Form	Injectable
Route	Injection
Strength	eq 500mg base/vial
Market Status	Prescription
Company	Mylan Institutional

3 of 4
Drug Name	Allopurinol sodium
PubMed Health	Allopurinol (Injection)
Drug Classes	Antigout, Urinary Stone Agent
Active Ingredient	Allopurinol sodium
Dosage Form	Injectable
Route	Injection
Strength	eq 500mg base/vial
Market Status	Prescription
Company	Eurohlth Intl

4 of 4
Drug Name	Aloprim
Active Ingredient	Allopurinol sodium
Dosage Form	Injectable
Route	Injection
Strength	eq 500mg base/vial
Market Status	Prescription
Company	Mylan Institutional