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Substance Name: Diaboline hydrochloride monohydrate
RN: 25378-44-3
UNII: XY05C4Z5YI
InChIKey: KDRGNMOICNLMJX-AFNJCVDQSA-N

Molecular Formula

  • C21-H24-N2-O3.Cl-H.H2-O

Molecular Weight

  • 406.9073
 
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Names and Synonyms

Name of Substance

  • Diaboline hydrochloride monohydrate

Synonyms

  • Curan-17-ol, 1-acetyl-19,20-didehydro-17,18-epoxy-, monohydrochloride, monohydrate, (17R)-
  • Diaboline hydrochloride monohydrate
  • Diaboline hydrochloride monohydrate [MI]
  • Ethanone, 1-((4S,17R)-17-hydroxy-19,20-didehydro-17,18-epoxycuran-1-yl)-, hydrochloride, hydrate (1:1:1)
  • UNII-XY05C4Z5YI

Registry Numbers

CAS Registry Number

  • 25378-44-3

FDA UNII

  • XY05C4Z5YI

System Generated Number

  • 0025378443

Structure Descriptors

InChI

1S/C21H24N2O3.ClH.H2O/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;1H2/t14-,17-,18+,19-,20+,21+;;/m0../s1

InChIKey

KDRGNMOICNLMJX-AFNJCVDQSA-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.O.Cl