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 134 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 2752
Estrogen receptor beta 113 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 2752

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
Chemieliva Pharmaceutical Co., Ltd	PBCM1438170
ChemMol	99169216	http://www.chemmol.com/chemmol/99169216.html
Chemspace	CSSB00020661153	https://chem-space.com/CSSB00020661153
ChemTik	CTK8F7970
eMolecules	7597983
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

PubMed

Title	Date	PubMed
Hypersensitivity to diethylstilbestrol with cross-sensitization to benzestrol.	1962	13894927
ORAL SUBSTITUTION THERAPY WITH BENZESTROL FOR PATIENTS WITH ESTROGEN DEFICIENCY.	1948-01	18731351
Gastric dysfunction of hypoestrogenic origin; treatment with benzestrol.	1946-12	20288022

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 `Mon Mar 31 21:26:24 GMT 2025` Edited by `admin` on `Mon Mar 31 21:26:24 GMT 2025`
Record UNII	A27512LR47
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BENZESTROL

Official Name

English

BENZESTROL [MI]

Preferred 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

Classification Tree Code System Code

NCI_THESAURUS

C483

Created by admin on Mon Mar 31 21:26:25 GMT 2025 , Edited by admin on Mon Mar 31 21:26:25 GMT 2025

Code System Code Type Description

DRUG CENTRAL

319

Created by admin on Mon Mar 31 21:26:25 GMT 2025 , Edited by admin on Mon Mar 31 21:26:25 GMT 2025

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MERCK INDEX

m69

Created by admin on Mon Mar 31 21:26:25 GMT 2025 , Edited by admin on Mon Mar 31 21:26:25 GMT 2025

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Merck Index

WIKIPEDIA

BENZESTROL

Created by admin on Mon Mar 31 21:26:24 GMT 2025 , Edited by admin on Mon Mar 31 21:26:24 GMT 2025

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FDA UNII

A27512LR47

Created by admin on Mon Mar 31 21:26:25 GMT 2025 , Edited by admin on Mon Mar 31 21:26:25 GMT 2025

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CAS

85-95-0

Created by admin on Mon Mar 31 21:26:24 GMT 2025 , Edited by admin on Mon Mar 31 21:26:24 GMT 2025

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EVMPD

SUB05744MIG

Created by admin on Mon Mar 31 21:26:24 GMT 2025 , Edited by admin on Mon Mar 31 21:26:24 GMT 2025

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EPA CompTox

DTXSID50861663

Created by admin on Mon Mar 31 21:26:25 GMT 2025 , Edited by admin on Mon Mar 31 21:26:25 GMT 2025

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ChEMBL

CHEMBL2104644

Created by admin on Mon Mar 31 21:26:25 GMT 2025 , Edited by admin on Mon Mar 31 21:26:25 GMT 2025

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NCI_THESAURUS

C76994

Created by admin on Mon Mar 31 21:26:24 GMT 2025 , Edited by admin on Mon Mar 31 21:26:24 GMT 2025

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SMS_ID

100000086382

Created by admin on Mon Mar 31 21:26:25 GMT 2025 , Edited by admin on Mon Mar 31 21:26:25 GMT 2025

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MESH

C020224

Created by admin on Mon Mar 31 21:26:24 GMT 2025 , Edited by admin on Mon Mar 31 21:26:24 GMT 2025

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INN

162

Created by admin on Mon Mar 31 21:26:25 GMT 2025 , Edited by admin on Mon Mar 31 21:26:25 GMT 2025

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PUBCHEM

6827

Created by admin on Mon Mar 31 21:26:25 GMT 2025 , Edited by admin on Mon Mar 31 21:26:25 GMT 2025

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Related Record Type Details


					A27512LR47

BENZESTROL

ACTIVE MOIETY

Details

SMILES

InChI

DescriptionSources: 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

Approval Year

Targets

Sourcing

PubMed

Sample Use Guides

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