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Substance Name: KDI 792
RN: 130047-30-2
InChIKey: JGCFJVFIRFTRKJ-YOLZMAEBSA-N

Molecular Formula

  • C22-H26-Cl-N3-O4-S.Cl-H

Molecular Weight

  • 500.444
 
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Names and Synonyms

Results Name

  • KDI 792

Synonyms

  • FK 070
  • KDI-792

Systematic Name

  • 5-Hexenoic acid, 6-((2S,4R)-4-(((4-chlorophenyl)sulfonyl)amino)-1-(3- pyridinylmethyl)-2-pyrrolidinyl)-, monohydrochloride, (5Z)-

Registry Numbers

CAS Registry Number

  • 130047-30-2

Other Registry Numbers

  • 167678-84-4
  • 178895-18-6

System Generated Number

  • 0130047302

Molecular Formulas

Molecular Formula

  • C22-H26-Cl-N3-O4-S.Cl-H

Molecular Formula Fragments

  • C22-H26-Cl-N3-O4-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26ClN3O4S.ClH/c23-18-8-10-21(11-9-18)31(29,30)25-19-13-20(6-2-1-3-7-22(27)28)26(16-19)15-17-5-4-12-24-14-17;/h2,4-6,8-12,14,19-20,25H,1,3,7,13,15-16H2,(H,27,28);1H/b6-2-;/t19-,20-;/m1./s1

InChIKey

JGCFJVFIRFTRKJ-YOLZMAEBSA-N

Smiles

C(CCC\C=C/[C@H]1[N@@](C[C@@H](C1)NS(=O)(=O)c1ccc(cc1)Cl)Cc1cnccc1)(=O)O.Cl