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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H27ClO2
Molecular Weight 370.912
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GESTACLONE

SMILES

[H][C@]12C[C@@]1(C(C)=O)[C@@]3(C)CC[C@@]4([H])[C@@]([H])(C=C(Cl)C5=CC(=O)[C@@]6([H])C[C@@]6([H])[C@]45C)[C@]3([H])C2

InChI

InChIKey=VUWYSFAIXUWQRQ-XRMSNTRGSA-N
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

HIDE SMILES / InChI

Molecular Formula C23H27ClO2
Molecular Weight 370.912
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Gestaclone was developed as a progesterone receptor agonist; however, this compound has never been marketed. Information about the current use of this compound is not available.

Approval Year

Substance Class Chemical
Record UNII
Q4K0SC8TFY
Record Status Validated (UNII)
Record Version