Chlormadinone

CAS Registry Number®

1961-77-9
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CAS Name

Chlormadinone

Molecular Formula

C21H27ClO3

Molecular Mass

362.89

Cite this Page

Chlormadinone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1961-77-9 (retrieved 2024-04-18) (CAS RN: 1961-77-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    212-214 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3/t14-,15+,16+,19-,20+,21+/m1/s1

InChIKey

InChIKey=VUHJZBBCZGVNDZ-TTYLFXKOSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(C(Cl)=C3)=CC(=O)CC4)(CC1)[H])[H])(CC[C@@]2(C(C)=O)O)[H]

Canonical SMILES

O=C1C=C2C(Cl)=CC3C(CCC4(C)C3CCC4(O)C(=O)C)C2(C)CC1

Other Names for this Substance

  • Pregna-4,6-diene-3,20-dione, 6-chloro-17-hydroxy-
  • 6-Chloro-17-hydroxypregna-4,6-diene-3,20-dione
  • Chlormadinone
  • 6-Chloro-6-dehydro-17α-hydroxyprogesterone
  • 6-Chloro-6-dehydro-17-hydroxyprogesterone

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