Allopurinol sodium salt , Xanthine dehydrogenase inhibitor, CAS No.70691471, Xanthine dehydrogenase inhibitor

CAS: 70691471 Cat. No.: A671256 Molecular Weight: 158.09 PubChem CID: 70691471

Synonyms

Allopurinol sodium salt | CHEMBL1200477 | NSC-108836 | ALLOPURINOL SODIUM | sodium 4-oxo-1,4-dihydropyrazolo[3,4-d]pyrimidin-5-ide

Storage

Room temperature

Specifications

Synonyms

Allopurinol sodium salt | CHEMBL1200477 | NSC-108836 | ALLOPURINOL SODIUM | sodium 4-oxo-1, 4-dihydropyrazolo[3, 4-d]pyrimidin-5-ide

Storage

Room temperature

Action Type

INHIBITOR

Mechanism of action

Xanthine dehydrogenase inhibitor

Names and Identifiers

• Canonical Smiles: C1=NNC2=C1C(=O)[N-]C=N2.[Na+]
• IUPAC Name: sodium;1H-pyrazolo[3,4-d]pyrimidin-5-id-4-one
• InChIKey: PTJRZVJXXNYNLN-UHFFFAOYSA-M
• 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
• Isomeric SMILES: C1=NNC2=C1C(=O)[N-]C=N2.[Na+]
• PubChem CID: 70691471
• Molecular Weight: 158.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrazolopyrimidines
      • Subclass Pyrazolo[3,4-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrazolopyrimidines
• Subclass: Pyrazolo[3,4-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolo[3,4-d]pyrimidines
• Alternative Parents: Pyrimidines and pyrimidine derivatives Pyrazoles Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolo[3,4-d]pyrimidine - Pyrimidine - Azole - Pyrazole - Heteroaromatic compound - Organic alkali metal salt - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic zwitterion - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazolo[3,4-d]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to but and not sharing a nitrogen atom with a pyrimidine ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y