Gestaclone

Gestaclone (INN, USAN) (developmental code name SH-1040), also known as 6-chloro-1α,2α:16α,17-bismethylene-4,6-pregnadiene-3,20-dione, is a steroidal progestin of unique chemical structure derived from progesterone that was first described in 1967 and was never marketed.[1]

Gestaclone
Clinical data
ATC code
  • None
Identifiers
IUPAC name
  • (2aR,3aS,3bS,3cS,5aS,5bS,6aS,7aS,7bS)-5b-acetyl-9-chloro-3b,5a-dimethyl-2a,3,3a,3b,3c,4,5,5a,5b,6,6a,7,7a,7b-tetradecahydro-2H-cyclopropa[3,4]cyclopenta[1,2-a]cyclopropa[g]phenanthren-2-one
CAS Number
PubChem CID
ChemSpider
UNII
Chemical and physical data
FormulaC23H27ClO2
Molar mass370.92 g·mol−1
3D model (JSmol)
SMILES
  • O=C5\C=C4\C(\Cl)=C/[C@@H]1[C@H](CC[C@@]2([C@@]3(C(=O)C)[C@@H](C[C@@H]12)C3)C)[C@@]4(C)[C@H]6C[C@@H]56
InChI
  • InChI=1S/C23H27ClO2/c1-11(25)23-10-12(23)6-16-13-8-19(24)18-9-20(26)14-7-17(14)22(18,3)15(13)4-5-21(16,23)2/h8-9,12-17H,4-7,10H2,1-3H3/t12-,13+,14+,15-,16-,17-,21-,22-,23-/m0/s1
  • Key:VUWYSFAIXUWQRQ-VMKBGRNBSA-N

References
  1. Elks J (14 November 2014). The Dictionary of Drugs: Chemical Data: Chemical Data, Structures and Bibliographies. Springer. p. 595. ISBN 978-1-4757-2085-3.



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