METHALLENESTRIL

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

US Previously Marketed

First approved in 1952

First approved in 1952

Details

Stereochemistry	RACEMIC
Molecular Formula	C18H22O3
Molecular Weight	286.3655
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHALLENESTRIL

Structure Search

SMILES

CCC(C1=CC=C2C=C(OC)C=CC2=C1)C(C)(C)C(O)=O

InChI

InChIKey=KHLJKRBMZVNZOC-UHFFFAOYSA-N

InChI=1S/C18H22O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h6-11,16H,5H2,1-4H3,(H,19,20)

HIDE SMILES / InChI

Molecular Formula	C18H22O3
Molecular Weight	286.3655
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/13638626 | https://www.drugfuture.com/chemdata/methallenestril.html | https://www.ncbi.nlm.nih.gov/pubmed/13318975

METHALLENESTRIL, an allenolic acid derivative, is a synthetic nonsteroidal estrogen used to treat menstrual issues.

Approval Year

Conditions

Conditions

Condition	Modality	Targets	Highest Phase	Product
Menopausal and postmenopausal disorder 10 Sources: http://www.drugfuture.com/chemdata/methallenestril.html https://www.ncbi.nlm.nih.gov/pubmed/13318975	Primary		Approved 8429	Vallestril Approved Use Estrogen Launch Date -5.6808001E11

Sourcing

Sourcing

Vendor/Aggregator	ID	URL
ABI Chem	AC1L1VJM
BOC Sciences	517-18-0
ChemMol	99098070	http://www.chemmol.com/chemmol/99098070.html
ChemTik	CTK0H6547
Chemieliva Pharmaceutical Co., Ltd	PBCM1323200
Compound Cloud	10599
NCI Plated 2007	74235
NovoSeek	10599
Smolecule	S535085	http://www.smolecule.com/products/s535085
THE BioTek	bt-275113	https://www.thebiotek.com/product/inhibitors/bt-275113
ZINC	ZINC000000000478	http://zinc15.docking.org/substances/ZINC000000000478
ZINC	ZINC000000897074	http://zinc15.docking.org/substances/ZINC000000897074

PubMed

PubMed

Title	Date	PubMed
Clinical assay of a new synthetic estrogen: vallestril.	1952 Nov 27	13002625
The oestrogens.	1959 Apr 18	13638626

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:08:48 UTC 2023` Edited by `admin` on `Fri Dec 15 19:08:48 UTC 2023`
Record UNII	XL025389JS
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

METHALLENESTRIL

Official Name

English

METHALLENESTRIL [MI]

Common Name

English

methallenestril [INN]

Common Name

English

METHALLENESTRIL [HSDB]

Common Name

English

NSC-74235

Code

English

Methallenestril [WHO-DD]

Common Name

English

METHALLENESTRIL [MART.]

Common Name

English

B-ETHYL-6-METHOXY-A,A-DIMETHYL-2-NAPHTHALENEPROPIONIC ACID

Common Name

English

Classification Tree Code System Code

WHO-ATC

G03CC03

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

WHO-ATC

G03CB03

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

NCI_THESAURUS

C2182

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

WHO-VATC

QG03CB03

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

WHO-VATC

QG03CC03

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

Code System Code Type Description

DRUG CENTRAL

1731

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

PRIMARY

PUBCHEM

10599

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

PRIMARY

CAS

15372-35-7

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

ALTERNATIVE

NSC

74235

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

PRIMARY

EVMPD

SUB08834MIG

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

PRIMARY

EPA CompTox

DTXSID7023275

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

PRIMARY

FDA UNII

XL025389JS

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

PRIMARY

CAS

517-18-0

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

PRIMARY

NCI_THESAURUS

C80685

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

PRIMARY

ECHA (EC/EINECS)

208-232-6

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

PRIMARY

WIKIPEDIA

METHALLENESTRIL

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

PRIMARY

DRUG BANK

DB13143

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

PRIMARY

MESH

C005194

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

PRIMARY

MERCK INDEX

m326

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

PRIMARY

Merck Index

INN

35

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

PRIMARY

HSDB

3358

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

PRIMARY

ChEMBL

CHEMBL1697842

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

PRIMARY

SMS_ID

100000081206

Created by admin on Fri Dec 15 19:08:48 UTC 2023 , Edited by admin on Fri Dec 15 19:08:48 UTC 2023

PRIMARY

Related Record Type Details


					XL025389JS

METHALLENESTRIL

ACTIVE MOIETY