GESTACLONE

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 Search

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

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: Elks J., The Dictionary of Drugs: Chemical Data: Chemical Data, Structures, retrieved from: https://books.google.ru/books?id=0vXTBwAAQBAJ&pg=PA595&lpg=PA595&dq=GESTACLONE&source=bl&ots=6JUfq9XFpy&sig=ACfU3U3toC6cxYq2tjWR8Xhfdoswibqwxw&hl=ru&sa=X&ved=2ahUKEwiIkL_B1ILjAhVBxIsKHUN4DMs4HhDoATAAegQICRAB#v=onepage&q=GESTACLONE&f=false | https://www.genome.jp/dbget-bin/www_bget?dr:D04315

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 Created by `admin` on `Sat Dec 16 05:03:35 GMT 2023` Edited by `admin` on `Sat Dec 16 05:03:35 GMT 2023`
Record UNII	Q4K0SC8TFY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GESTACLONE

Official Name

English

17β-Acetyl-6-chloro-1β,1a,2β,8β,9α,10,11,12,13,14α,15,16β,16a,17-tetradecahydro-10β,13β-dimethyl-3H-dicyclopropa[1,2:16,17]cyclopenta[a]-phenanthren-3-one

Common Name

English

SH-1040

Code

English

SH 1040

Code

English

6-CHLORO-1.ALPHA.,2.ALPHA.:16.ALPHA.,17-BISMETHYLENE-4,6-PREGNADIENE-3,20-DIONE

Common Name

English

3H-DICYCLOPROPA(1,2:16,17)CYCLOPENTA(A)PHENANTHREN-3-ONE, 17-ACETYL-6-CHLORO-1,1A,2,8,9,10,11,12,13,14,15,16,16A,17-TETRADECAHYDRO-10,13-DIMETHYL-, (1.ALPHA.,2.ALPHA.,8.ALPHA.,9.BETA.,10.ALPHA.,13.ALPHA.,14.BETA.,16.ALPHA.,17.ALPHA.)-

Common Name

English

gestaclone [INN]

Common Name

English

GESTACLONE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C776