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Details

Stereochemistry EPIMERIC
Molecular Formula C20H25Cl3O3
Molecular Weight 419.77
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CLOXESTRADIOL

SMILES

[H][C@@]12CC[C@H](OC(O)C(Cl)(Cl)Cl)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(O)C=C4

InChI

InChIKey=JVLHMVXGPLKLFV-AJUWMHLFSA-N
InChI=1S/C20H25Cl3O3/c1-19-9-8-14-13-5-3-12(24)10-11(13)2-4-15(14)16(19)6-7-17(19)26-18(25)20(21,22)23/h3,5,10,14-18,24-25H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18?,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H25Cl3O3
Molecular Weight 419.77
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Cloxestradiol is a chlorinated derivative of estradiol, invented by Danish company Leo Pharma AS in 1963. The compound is claimed to have estrogenic activity, as was demonstrated by the extended duration of oestrus caused by the injection of cloxestradiol to castrated female rats.

Originator

Approval Year

Substance Class Chemical
Record UNII
42R9MZG1DL
Record Status Validated (UNII)
Record Version