BENZESTROL

US Previously Marketed

First approved in 1942

Details

Stereochemistry	MIXED
Molecular Formula	C20H26O2
Molecular Weight	298.4192
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC(C(C)C1=CC=C(O)C=C1)C(CC)C2=CC=C(O)C=C2

InChI

InChIKey=DUTFBSAKKUNBAL-UHFFFAOYSA-N

InChI=1S/C20H26O2/c1-4-19(14(3)15-6-10-17(21)11-7-15)20(5-2)16-8-12-18(22)13-9-16/h6-14,19-22H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C20H26O2
Molecular Weight	298.4192
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/18731351 | https://www.ncbi.nlm.nih.gov/pubmed/20288022 | https://books.google.ru/books?id=tsjrCAAAQBAJ&pg=PA47&redir_esc=y#v=onepage&q&f=false

Benzestrol (originally called 118B and Octofollin), synthetic nonsteroidal estrogen and analog of stilbestrol, was used for oral estrogenic therapy for women and in order to prevent premature births. Besides, benzestrol gave most of the patients’ satisfactory relief of their estrogen deficiency symptoms. However, its use has been discontinued.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Estrogen receptor alpha 127 Target ID: CHEMBL206 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23056236 \| Nogrady, T., Weaver, D.F. (2005) Medicinal Chemistry: A Molecular and Biochemical Approach, retrieved from: https://books.google.ru/books?id=TNXeDAAAQBAJ	Agonist 2678
Estrogen receptor beta 110 Target ID: CHEMBL242 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23056236 \| Nogrady, T., Weaver, D.F. (2005) Medicinal Chemistry: A Molecular and Biochemical Approach, retrieved from: https://books.google.ru/books?id=TNXeDAAAQBAJ	Agonist 2678

Sourcing

Vendor/Aggregator	ID	URL
AA Blocks	AA004W0E	https://www.aablocks.com/goods/Goods/detail?id=AA004W0E
AAA Chemistry	AR-1K8747
ABI Chem	AC1L1NE1
ABI Chem	AC1Q7A5E
Alfa Chemistry	85-95-0	https://www.alfa-chemistry.com/cas_85-95-0.htm
Ambinter	Amb17608809	http://www.ambinter.com/reference/17608809
Angene	AGN-PC-0WH1TW	http://www.angenechemical.com/productshow/AGN-PC-0WH1TW.html
ChemMol	99169216	http://www.chemmol.com/chemmol/99169216.html
ChemTik	CTK8F7970
Chemieliva Pharmaceutical Co., Ltd	PBCM1438170
Chemspace	CSSB00020661153	https://chem-space.com/CSSB00020661153
Finetech	FT-0662567	http://www.finetechnology-ind.com/prod/detail/pub/85-95-0.html
MuseChem	R010324
NovoSeek	6827
Smolecule	S565569	https://www.smolecule.com/products/s565569
THE BioTek	bt-366231	https://www.thebiotek.com/product/others/bt-366231
Toronto Research Chemicals	B203550
Toronto Research Chemicals	T767600
ZINC	ZINC000001600954	http://zinc15.docking.org/substances/ZINC000001600954
ZINC	ZINC000003875595	http://zinc15.docking.org/substances/ZINC000003875595
ZINC	ZINC000003875596	http://zinc15.docking.org/substances/ZINC000003875596
ZINC	ZINC000003875597	http://zinc15.docking.org/substances/ZINC000003875597
ZINC	ZINC000103351801	http://zinc15.docking.org/substances/ZINC000103351801
eMolecules	7597983

PubMed

Title	Date	PubMed
Hypersensitivity to diethylstilbestrol with cross-sensitization to benzestrol.	1962	13894927

Sample Use Guides

In Vivo Use Guide

The amount necessary to produce a good therapeutic effect varied from 5 mg. to 15 mg. daily.

Route of Administration: Other

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:08:15 GMT 2023` Edited by `admin` on `Sat Dec 16 05:08:15 GMT 2023`
Record UNII	A27512LR47
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZESTROL

Official Name

English

4,4'-(1,2-DIETHYL-3-METHYLTRIMETHYLENE)DIPHENOL

Systematic Name

English

BENZESTROL [MART.]

Common Name

English

benzestrol [INN]

Common Name

English

PHENOL, 4,4'-(1,2-DIETHYL-3-METHYL-1,3-PROPANEDIYL)BIS-

Systematic Name

English

BENZESTROL [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C483