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Substance Name: IS 145
RN: 149732-41-2
InChIKey: YZLZWIBMWPZHMO-KHIMZQFYSA-N

Note

  • A thromboxane A2 receptor antagonist.

Molecular Formula

  • C20-H26-I-N-O4-S

Molecular Weight

  • 503.3944
 
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Names and Synonyms

Name of Substance

  • IS 145

Synonyms

  • 7-(3-((4-Iodophenylsulfonyl)amino)bicyclo(2.2.1)hep-2-yl)-5-heptenoic acid
  • IS-145

Systematic Name

  • 5-Heptenoic acid, 7-(3-(((4-iodophenyl)sulfonyl)amino)bicyclo(2.2.1)hept-2-yl)-, (1alpha,2alpha(Z),3beta,4alpha)-

Registry Numbers

CAS Registry Number

  • 149732-41-2

System Generated Number

  • 0149732412

Structure Descriptors

InChI

InChI=1S/C20H26INO4S/c21-16-9-11-17(12-10-16)27(25,26)22-20-15-8-7-14(13-15)18(20)5-3-1-2-4-6-19(23)24/h1,3,9-12,14-15,18,20,22H,2,4-8,13H2,(H,23,24)/b3-1-/t14-,15+,18-,20+/m0/s1

InChIKey

YZLZWIBMWPZHMO-KHIMZQFYSA-N

Smiles

OC(=O)CCC\C=C/C[C@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c3ccc(I)cc3