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Substance Name: 5H-Pyrrolo(3,2-d)pyrimidine-4-sulfonic acid, 7-cyano-2-phenyl-, sodium salt
RN: 84905-76-0
InChIKey: CBRLMXCPFGXSMS-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H8-N4-O3-S.Na

Molecular Weight

  • 322.2793
 
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Names and Synonyms

Synonyms

  • 7-Cyano-2-phenyl-5H-pyrrolo(3,2-d)pyrimidine-4-sulfonic acid sodium salt
  • Sodium 2-phenyl-7-cyanopyrrolo(3,2-d)pyrimidine-4-sulfonate

Systematic Name

  • 5H-Pyrrolo(3,2-d)pyrimidine-4-sulfonic acid, 7-cyano-2-phenyl-, sodium salt

Registry Numbers

CAS Registry Number

  • 84905-76-0

System Generated Number

  • 0084905760

Molecular Formulas

Molecular Formula

  • C13-H8-N4-O3-S.Na

Molecular Formula Fragments

  • C13-H8-N4-O3-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C13H8N4O3S.Na/c14-6-9-7-15-11-10(9)16-12(8-4-2-1-3-5-8)17-13(11)21(18,19)20;/h1-5,7,15H,(H,18,19,20);/q;+1/p-1

InChIKey

CBRLMXCPFGXSMS-UHFFFAOYSA-M

Smiles

[Na+].[O-]S(=O)(=O)c1nc(nc2c(c[nH]c12)C#N)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal > 500mg/kg (500mg/kg)   Pharmaceutical Chemistry Journal Vol. 16, Pg. 834, 1982.