4-Chloropregn-4-ene-3,20-dione

CAS Registry Number®

1164-81-4
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CAS Name

4-Chloropregn-4-ene-3,20-dione

Molecular Formula

C21H29ClO2

Molecular Mass

348.91

Cite this Page

4-Chloropregn-4-ene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1164-81-4 (retrieved 2024-09-19) (CAS RN: 1164-81-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    218.0-220.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H29ClO2/c1-12(23)14-6-7-15-13-4-5-17-19(22)18(24)9-11-21(17,3)16(13)8-10-20(14,15)2/h13-16H,4-11H2,1-3H3/t13-,14+,15-,16-,20+,21+/m0/s1

InChIKey

InChIKey=MSWUPHPHYAFBLX-QCGOMIHKSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(C)=O)CC4)[H])(CCC1=C(Cl)C(=O)CC2)[H])[H]

Canonical SMILES

O=C1C(Cl)=C2CCC3C(CCC4(C)C(C(=O)C)CCC34)C2(C)CC1

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 4-chloro-
  • Progesterone, 4-chloro-
  • 4-Chloropregn-4-ene-3,20-dione
  • 4-Chloroprogesterone
  • NSC 18308