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Substance Name: Diaboline hydrochloride
RN: 11032-42-1
UNII: 56MBQ97F92
InChIKey: HWNDKUQUULZMTK-PCBBDXKHSA-N

Molecular Formula

  • C21-H24-N2-O3.Cl-H

Molecular Weight

  • 388.8925
 
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Names and Synonyms

Name of Substance

  • Diaboline hydrochloride

Synonyms

  • Diaboline hydrochloride
  • Diaboline-hydrochloride
  • Ethanone, 1-((4S,17R)-17-hydroxy-19,20-didehydro-17,18-epoxycuran-1-yl)-, hydrochloride (1:1)
  • UNII-56MBQ97F92

Registry Numbers

CAS Registry Number

  • 11032-42-1

FDA UNII

  • 56MBQ97F92

System Generated Number

  • 0011032421

Structure Descriptors

InChI

1S/C21H24N2O3.ClH/c1-12(24)23-16-5-3-2-4-15(16)21-7-8-22-11-13-6-9-26-20(25)18(19(21)23)14(13)10-17(21)22;/h2-6,14,17-20,25H,7-11H2,1H3;1H/t14-,17-,18+,19-,20+,21+;/m0./s1

InChIKey

HWNDKUQUULZMTK-PCBBDXKHSA-N

Smiles

CC(=O)N1c2ccccc2[C@@]34[C@@H]1[C@H]5[C@H]6C[C@@H]3[N@@](CC4)CC6=CCO[C@H]5O.Cl