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Substance Name: Domitroban [INN]
RN: 112966-96-8
UNII: 742F5K270Q
InChIKey: PWTCIBWRMQFJBC-ZEMKZVSASA-N

Note

  • TXA2/PGH2 receptor antagonist; S-1452 is the calcium hydrate form of S-145.

Molecular Formula

  • C20-H27-N-O4-S

Molecular Weight

  • 377.502
 

Classification Codes

  • Hematologic Agents
  • Hormone Antagonists
  • Hormones, Hormone Substitutes, and Hormone Antagonists
  • Platelet Aggregation Inhibitors
  • Prostaglandin Antagonists
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Names and Synonyms

Results Name

  • Domitroban [INN]

Name of Substance

  • Domitroban [INN]
  • S 145

Synonyms

  • (+)-(Z)-7-((1R,2S,3S,4S)-3-Benzenesulfonamido-2-norbornyl)-5-heptenoic acid
  • 5,7-(3-Phenylsulfonylamino(2.2.1)bicyclohept-2-yl)heptenoic acid
  • Calcium 5,7-(3-phenylsulfonylaminobicyclo(2.2.1)hept-2-yl)-5-heptenoate hydrate
  • Domitroban
  • S-145
  • S-1452
  • UNII-742F5K270Q

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 112966-96-8

FDA UNII

  • 742F5K270Q

System Generated Number

  • 0112966968

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

C1C[C@@H]2C[C@H]1[C@@H](NS(=O)(c1ccccc1)=O)[C@H]2C\C=C/CCCC(O)=O