Delmadinone acetate

CAS Registry Number®

13698-49-2

CAS Name

Delmadinone acetate

Molecular Formula

C23H27ClO4

Molecular Mass

402.91

Cite this Page

Delmadinone acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13698-49-2 (retrieved 2024-11-21) (CAS RN: 13698-49-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    168 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C23H27ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h5,8,11-12,16-18H,6-7,9-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1

InChIKey

InChIKey=CGBCCZZJVKUAMX-DFXBJWIESA-N

SMILES

O(C(C)=O)[C@@]1(C(C)=O)[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@]4(C)C(C(Cl)=C3)=CC(=O)C=C4)[H])[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)C(Cl)=CC3C2CCC4(C)C3CCC4(OC(=O)C)C(=O)C)C

Other Names for this Substance

  • Pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-
  • Pregna-1,4,6-triene-3,20-dione, 6-chloro-17-hydroxy-, acetate
  • 17-(Acetyloxy)-6-chloropregna-1,4,6-triene-3,20-dione
  • Δ1-Chlormadinone acetate
  • 17α-Acetoxy-6-chloropregna-1,4,6-triene-3,20-dione

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Deleted or Replaced CAS Registry Numbers

28379-12-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration