CAS No.17795-21-0,1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, monosodium salt Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17795-21-0
Name:	1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, monosodium salt

Formula:	C₅H₄N₄NaO
Molecular Weight:	159.10123
Synonyms:	4H-Pyrazolo[3,4-d]pyrimidin-4-one,1,5-dihydro-, monosodium salt (8CI,9CI);Allopurinol sodium salt;Sodiumallopurinol;
EINECS:	241-771-5
PSA:	77.52000
LogP:	0.49670

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Specification

The IUPAC name of Sodium allopurinol is sodium 1H-pyrazolo[3,4-d]pyrimidin-4-olate. With the CAS registry number 17795-21-0, it is also named as 1,5-Dihydro-4H-pyrazolo(3,4-d)pyrimidin-4-one, monosodium salt. The molecular formular is C₅H₃N₄NaO. This chemical is a xanthine oxidase inhibitor that decreases uric acid production. It also acts as an antimetabolite on some simpler organisms.

The other characteristics of Sodium allopurinol can be summarized as: ((1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 0; (4)Polar Surface Area: 74.69 Å²; (5)Tautomer Count: 4; (6)Exact Mass: 158.020455; (7)MonoIsotopic Mass: 158.020455 ; (8)Topological Polar Surface Area: 77.5; (9)Heavy Atom Count: 11; (10)Formal Charge: 0; (11)Complexity: 136; (12)Covalently-Bonded Unit Count: 2 .

People can use the following data to convert to the molecule structure.
1. SMILES:[Na+].Oc2ncnc1nncc12
2. InChI:InChI=1/C5H4N4O.Na/c10-5-3-1-8-9-4(3)6-2-7-5;/h1-2H,(H2,6,7,8,9,10);/q;+1
3. InChIKey:PTJRZVJXXNYNLN-UHFFFAOYAK
4. Std. 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
5. Std. InChIKey:PTJRZVJXXNYNLN-UHFFFAOYSA-N