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Substance Name: 6-Isopropyl-3-(4-(4-chlorobenzenesulfonylamino)butyl)azulene-1-sulfonic acid sodium salt
RN: 129648-96-0
UNII: W9F1S1H9LP
InChIKey: QIBQVFYOTMPEIP-UHFFFAOYSA-M

Note

  • A prostaglandin endoperoxide receptor antagonist.

Molecular Formula

  • C23-H26-Cl-N-O5-S2.Na

Molecular Weight

  • 518.028
 
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Names and Synonyms

Name of Substance

  • 6-Isopropyl-3-(4-(4-chlorobenzenesulfonylamino)butyl)azulene-1-sulfonic acid sodium salt

Synonyms

  • 3-(4-(((4-Chlorophenyl)sulfonyl)amino)butyl)-6-(1-methylethyl)-1-azulenesulfonic acid monosodium salt
  • 6-Isopropyl-3-(4-(4-chlorobenzenesulfonylamino)butyl)azulene-1-sulfonic acid sodium salt
  • KT 2-962
  • KT2 962
  • UNII-W9F1S1H9LP

Systematic Name

  • 1-Azulenesulfonic acid, 3-(4-(((4-chlorophenyl)sulfonyl)amino)butyl)-6-(1-methylethyl)-, monosodium salt

Registry Numbers

CAS Registry Number

  • 129648-96-0

FDA UNII

  • W9F1S1H9LP

System Generated Number

  • 0129648960

Molecular Formulas

Molecular Formula

  • C23-H26-Cl-N-O5-S2.Na

Molecular Formula Fragments

  • C23-H26-Cl-N-O5-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H26ClNO5S2.Na/c1-16(2)17-6-12-21-18(15-23(32(28,29)30)22(21)13-7-17)5-3-4-14-25-31(26,27)20-10-8-19(24)9-11-20;/h6-13,15-16,25H,3-5,14H2,1-2H3,(H,28,29,30);/q;+1/p-1

InChIKey

QIBQVFYOTMPEIP-UHFFFAOYSA-M

Smiles

[Na+].c1(cc(c2ccc(ccc12)C(C)C)CCCCNS(=O)(=O)c1ccc(cc1)Cl)S(=O)(=O)[O-]