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Substance Name: Demethylonapristone
RN: 120144-15-2
InChIKey: WYWIXJQPMTVGKW-BSMGLMMXSA-N

Note

  • Metabolite of onapristone.

Molecular Formula

  • C28-H37-N-O3

Molecular Weight

  • 435.6043
 
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Names and Synonyms

Results Name

  • Demethylonapristone

Name of Substance

  • ZK 115716

Synonyms

  • 11beta-(4-Methylaminophenyl)-17alpha-hydroxy-17beta-(3-hydroxypropyl)-13alpha-methyl-4,9,(10)-gonadien-3-one
  • Demethylonapristone
  • Desmethylonapristone
  • ZK-115716

Systematic Name

  • Estra-4,9-dien-3-one, 17-hydroxy-17-(3-hydroxypropyl)-11-(4-(methylamino)phenyl)-, (11beta,13alpha,17alpha)-

Registry Numbers

CAS Registry Number

  • 120144-15-2

System Generated Number

  • 0120144152

Structure Descriptors

InChI

1S/C28H37NO3/c1-27-17-24(18-4-7-20(29-2)8-5-18)26-22-11-9-21(31)16-19(22)6-10-23(26)25(27)12-14-28(27,32)13-3-15-30/h4-5,7-8,16,23-25,29-30,32H,3,6,9-15,17H2,1-2H3/t23-,24+,25-,27+,28+/m0/s1

InChIKey

WYWIXJQPMTVGKW-BSMGLMMXSA-N

Smiles

C[C@@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(CCCO)O)c5ccc(cc5)NC