CLOXESTRADIOL

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 Search

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

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://patents.google.com/patent/US3096328A/en

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 Created by `admin` on `Fri Dec 15 16:09:17 GMT 2023` Edited by `admin` on `Fri Dec 15 16:09:17 GMT 2023`
Record UNII	42R9MZG1DL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CLOXESTRADIOL

Official Name

English

17.BETA.-(2,2,2-TRICHLORO-1-HYDROXYETHOXY)ESTRA-1,3,5(10)-TRIEN-3-OL

Systematic Name

English

cloxestradiol [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C483