Mifepristone

CAS Registry Number®

84371-65-3
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CAS Name

Mifepristone

Molecular Formula

C29H35NO2

Molecular Mass

429.59

Cite this Page

Mifepristone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=84371-65-3 (retrieved 2024-04-16) (CAS RN: 84371-65-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    150 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1

InChIKey

InChIKey=VKHAHZOOUSRJNA-GCNJZUOMSA-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(C#CC)O)[H]

Canonical SMILES

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

Other Names for this Substance

  • Estra-4,9-dien-3-one, 11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(1-propyn-1-yl)-, (11β,17β)-
  • Estra-4,9-dien-3-one, 11-[4-(dimethylamino)phenyl]-17-hydroxy-17-(1-propynyl)-, (11β,17β)-
  • (11β,17β)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-17-(1-propyn-1-yl)estra-4,9-dien-3-one
  • RU 486
  • RU 38486

Deleted or Replaced CAS Registry Numbers

122742-25-0, 83203-42-3

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