Metapristone

CAS Registry Number®

104004-96-8
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CAS Name

Metapristone

Molecular Formula

C28H33NO2

Molecular Mass

415.57

Cite this Page

Metapristone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=104004-96-8 (retrieved 2024-04-26) (CAS RN: 104004-96-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    229.2-229.9 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H33NO2/c1-4-14-28(31)15-13-25-23-11-7-19-16-21(30)10-12-22(19)26(23)24(17-27(25,28)2)18-5-8-20(29-3)9-6-18/h5-6,8-9,16,23-25,29,31H,7,10-13,15,17H2,1-3H3/t23-,24+,25-,27-,28-/m0/s1

InChIKey

InChIKey=IBLXOBHABOVXDY-WKWWZUSTSA-N

SMILES

C[C@@]12[C@]([C@]3(C([C@H](C1)C4=CC=C(NC)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)NC)CC5(C)C(CCC5(O)C#CC)C3CC2)CC1

Other Names for this Substance

  • Estra-4,9-dien-3-one, 17-hydroxy-11-[4-(methylamino)phenyl]-17-(1-propyn-1-yl)-, (11β,17β)-
  • Estra-4,9-dien-3-one, 17-hydroxy-11-[4-(methylamino)phenyl]-17-(1-propynyl)-, (11β,17β)-
  • (11β,17β)-17-Hydroxy-11-[4-(methylamino)phenyl]-17-(1-propyn-1-yl)estra-4,9-dien-3-one
  • RU 42633
  • N-Desmethyl-RU 486

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