CLOGESTONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H29ClO3
Molecular Weight	364.906
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])C=C(Cl)C4=C[C@@H](O)CC[C@]34C

InChI

InChIKey=WZTUZRFSDWXDRM-IAGOJMRCSA-N

InChI=1S/C21H29ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,13-16,24-25H,4-9H2,1-3H3/t13-,14+,15-,16-,19+,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H29ClO3
Molecular Weight	364.906
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://books.google.ru/books?id=0vXTBwAAQBAJ&pg=PA297&redir_esc=y#v=onepage&q&f=false p.297 | https://books.google.ru/books?id=et3Lq-TitzAC&pg=PA323&redir_esc=y#v=onepage&q&f=false p.323

Clogestone Acetate (AY-11440) is a steroidal progestin that was synthesized in 1964 and was investigated as a progestin-only contraceptive but was never marketed.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Sodium/potassium-transporting ATPase 39 Target ID: CHEMBL2095186 Sources: https://www.ncbi.nlm.nih.gov/pubmed/1335579	Inhibitor 8297
Progesterone receptor 61 Target ID: CHEMBL208 Sources: https://www.ncbi.nlm.nih.gov/pubmed/5537778 \| https://www.ncbi.nlm.nih.gov/pubmed/5537778	Modulator 828

Conditions

Condition	Modality	Highest Phase	Product
Hormone-dependent breast cancer 2 Sources: https://www.ncbi.nlm.nih.gov/pubmed/1224393	Primary	Basic research	Unknown Approved Use Unknown
Menstruation disturbances 2 Sources: https://www.ncbi.nlm.nih.gov/pubmed/5537778	Primary	Not Provided 504	Unknown Approved Use Unknown
Pregnancy 65 Sources: https://www.ncbi.nlm.nih.gov/pubmed/5537778 https://www.ncbi.nlm.nih.gov/pubmed/2941236	Preventing	Not Provided 504	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed

Patents

Sample Use Guides

In Vivo Use Guide

Clogestone Acetate (AY-11440) was tested at several doses for 3 cycles in 14 postmenopausal women and 7 ovulating women. Patients and doses were the following: 14 postmenopausal women with vasomotor syndrome who were given 1.25 mg Premarin for 21 days and .1 mg, 1 mg, or 3 mg AY-11440, for the last 10 days of a cycle; and 7 cycling women seeking contraception, given .1, .5, or 1 mg AY-11440 daily from Day 5-25.

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:25:15 GMT 2023` Edited by `admin` on `Sat Dec 16 17:25:15 GMT 2023`
Record UNII	0I88K7V2TF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CLOGESTONE

Official Name

English

PREGNA-4,6-DIENE-20-ONE, 3,17-DIHYDROXY-6-CHLORO-

Systematic Name

English

6-CHLORO-3.BETA.,17-DIHYDROXYPREGNA-4,6-DIEN-20-ONE

Systematic Name

English

clogestone [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C776