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Substance Name: Domitroban, (+/-)-
RN: 115266-92-7
UNII: 6C4W5D1SE7
InChIKey: PWTCIBWRMQFJBC-ZEMKZVSASA-N

Molecular Formula

  • C20-H27-N-O4-S

Molecular Weight

  • 377.5023
 
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Names and Synonyms

Name of Substance

  • Domitroban, (+/-)-

Synonyms

  • (+/-)-S-145
  • 5-Heptenoic acid, 7-((1R,2S,3S,4S)-3-((phenylsulfonyl)amino)bicyclo(2.2.1)hept-2-yl)-, (5Z)-rel-
  • 7-(3-((Phenylsulfonyl)amino)bicyclo(2.2.1)hept-2-yl)-5-heptenoic acid, (+/-)-(5Z)-
  • Domitroban (+/-)-form [MI]
  • Domitroban, (+/-)-
  • S-145
  • S-145 (Thromboxane antagonist)
  • UNII-6C4W5D1SE7

Registry Numbers

CAS Registry Number

  • 115266-92-7

FDA UNII

  • 6C4W5D1SE7

System Generated Number

  • 0115266927

Structure Descriptors

InChI

1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16+,18+,20+/m1/s1

InChIKey

PWTCIBWRMQFJBC-ZEMKZVSASA-N

Smiles

c1ccc(cc1)S(=O)(=O)N[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C/C=C\CCCC(=O)O