(11β,17β)-17-Hydroxy-11-[4-[methyl(1-methylethyl)amino]phenyl]-17-(1-propyn-1-yl)estra-4,9-dien-3-one

CAS Registry Number®

91935-26-1

CAS Name

(11β,17β)-17-Hydroxy-11-[4-[methyl(1-methylethyl)amino]phenyl]-17-(1-propyn-1-yl)estra-4,9-dien-3-one

Molecular Formula

C31H39NO2

Molecular Mass

457.65

Cite this Page

(11β,17β)-17-Hydroxy-11-[4-[methyl(1-methylethyl)amino]phenyl]-17-(1-propyn-1-yl)estra-4,9-dien-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=91935-26-1 (retrieved 2024-11-21) (CAS RN: 91935-26-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H39NO2/c1-6-16-31(34)17-15-28-26-13-9-22-18-24(33)12-14-25(22)29(26)27(19-30(28,31)4)21-7-10-23(11-8-21)32(5)20(2)3/h7-8,10-11,18,20,26-28,34H,9,12-15,17,19H2,1-5H3/t26-,27+,28-,30-,31-/m0/s1

InChIKey

InChIKey=LOIYXTZQBQVHSF-PABOLRIOSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Estra-4,9-dien-3-one, 17-hydroxy-11-[4-[methyl(1-methylethyl)amino]phenyl]-17-(1-propyn-1-yl)-, (11β,17β)-
  • Estra-4,9-dien-3-one, 17-hydroxy-11-[4-[methyl(1-methylethyl)amino]phenyl]-17-(1-propynyl)-, (11β,17β)-
  • (11β,17β)-17-Hydroxy-11-[4-[methyl(1-methylethyl)amino]phenyl]-17-(1-propyn-1-yl)estra-4,9-dien-3-one
  • Toripristone
  • RU 40555

Deleted or Replaced CAS Registry Numbers

145380-08-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration