Onapristone

CAS Registry Number®

96346-61-1

CAS Name

Onapristone

Molecular Formula

C29H39NO3

Molecular Mass

449.62

Cite this Page

Onapristone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96346-61-1 (retrieved 2024-11-21) (CAS RN: 96346-61-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H39NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h5-6,8-9,17,24-26,31,33H,4,7,10-16,18H2,1-3H3/t24-,25+,26-,28+,29+/m0/s1

InChIKey

InChIKey=IEXUMDBQLIVNHZ-YOUGDJEHSA-N

SMILES

C[C@]12[C@]([C@]3(C([C@H](C1)C4=CC=C(N(C)C)C=C4)=C5C(CC3)=CC(=O)CC5)[H])(CC[C@@]2(CCCO)O)[H]

Canonical SMILES

O=C1C=C2C(=C3C(C4=CC=C(C=C4)N(C)C)CC5(C)C(CCC5(O)CCCO)C3CC2)CC1

Other Names for this Substance

  • Estra-4,9-dien-3-one, 11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(3-hydroxypropyl)-, (11β,13α,17α)-
  • (11β,13α,17α)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-17-(3-hydroxypropyl)estra-4,9-dien-3-one
  • ZK 98299
  • Onapristone
  • ZK 299

Deleted or Replaced CAS Registry Numbers

127138-89-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration