ESTETROL ANHYDROUS

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H24O4
Molecular Weight	304.3808
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ESTETROL ANHYDROUS

Structure Search

SMILES

[H][C@@]12[C@@H](O)[C@@H](O)[C@H](O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(O)C=C4

InChI

InChIKey=AJIPIJNNOJSSQC-NYLIRDPKSA-N

InChI=1S/C18H24O4/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H24O4
Molecular Weight	304.3808
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:31:30 UTC 2023` Edited by `admin` on `Sat Dec 16 16:31:30 UTC 2023`
Record UNII	ENB39R14VF
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ESTETROL ANHYDROUS

Common Name

English

ESTETROL

Preferred Name

English

E4

Code

English

Estetrol [WHO-DD]

Common Name

English

ESTRA-1,3,5(10)-TRIENE-3,15,16,17-TETROL, (15.ALPHA.,16.ALPHA.,17.BETA.)-

Systematic Name

English

ESTETROL (ANHYDROUS) [USAN]

Common Name

English

ESTRA-1,3,5(10)-TRIENE-3,15.ALPHA.,16.ALPHA.,17.BETA.-TETROL

Systematic Name

English

estetrol [INN]

Common Name

English

ESTETROL (E4)

Common Name

English

E-4

Code

English

15.ALPHA.-HYDROXYESTRIOL

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

678119

Created by admin on Sat Dec 16 16:31:31 UTC 2023 , Edited by admin on Sat Dec 16 16:31:31 UTC 2023

EU-Orphan Drug

EU/3/17/1865

Created by admin on Sat Dec 16 16:31:31 UTC 2023 , Edited by admin on Sat Dec 16 16:31:31 UTC 2023

Code System Code Type Description

WIKIPEDIA

ESTETROL

Created by admin on Sat Dec 16 16:31:31 UTC 2023 , Edited by admin on Sat Dec 16 16:31:31 UTC 2023

PRIMARY

INN

10439

Created by admin on Sat Dec 16 16:31:31 UTC 2023 , Edited by admin on Sat Dec 16 16:31:31 UTC 2023

PRIMARY

EPA CompTox

DTXSID50164888

Created by admin on Sat Dec 16 16:31:31 UTC 2023 , Edited by admin on Sat Dec 16 16:31:31 UTC 2023

PRIMARY

RXCUI

2539031

Created by admin on Sat Dec 16 16:31:31 UTC 2023 , Edited by admin on Sat Dec 16 16:31:31 UTC 2023

PRIMARY

USAN

FG-207

Created by admin on Sat Dec 16 16:31:31 UTC 2023 , Edited by admin on Sat Dec 16 16:31:31 UTC 2023

PRIMARY

NCI_THESAURUS

C68928

Created by admin on Sat Dec 16 16:31:31 UTC 2023 , Edited by admin on Sat Dec 16 16:31:31 UTC 2023

PRIMARY

FDA UNII

ENB39R14VF

Created by admin on Sat Dec 16 16:31:31 UTC 2023 , Edited by admin on Sat Dec 16 16:31:31 UTC 2023

PRIMARY

DAILYMED

ENB39R14VF

Created by admin on Sat Dec 16 16:31:31 UTC 2023 , Edited by admin on Sat Dec 16 16:31:31 UTC 2023

PRIMARY

WIKIPEDIA

Estetrol (medication)

Created by admin on Sat Dec 16 16:31:31 UTC 2023 , Edited by admin on Sat Dec 16 16:31:31 UTC 2023

PRIMARY

PUBCHEM

27125

Created by admin on Sat Dec 16 16:31:31 UTC 2023 , Edited by admin on Sat Dec 16 16:31:31 UTC 2023

PRIMARY

DRUG BANK

DB12235

Created by admin on Sat Dec 16 16:31:31 UTC 2023 , Edited by admin on Sat Dec 16 16:31:31 UTC 2023

PRIMARY

CHEBI

142773

Created by admin on Sat Dec 16 16:31:31 UTC 2023 , Edited by admin on Sat Dec 16 16:31:31 UTC 2023

PRIMARY

CAS

15183-37-6

Created by admin on Sat Dec 16 16:31:31 UTC 2023 , Edited by admin on Sat Dec 16 16:31:31 UTC 2023

PRIMARY

SMS_ID

100000172329

Created by admin on Sat Dec 16 16:31:31 UTC 2023 , Edited by admin on Sat Dec 16 16:31:31 UTC 2023

PRIMARY

Related Record Type Details


					FO7FW4DL8V

ESTROGEN RECEPTOR BETA

TARGET -> AGONIST

Qualification:

Ki

Amount:


					KC3GI9UM9V

ESTETROL MONOHYDRATE

SOLVATE->ANHYDROUS

Amount:


					KC3GI9UM9V

ESTETROL MONOHYDRATE

SALT/SOLVATE -> PARENT

Amount:


					SIDP85PFD6

ESTROGEN RECEPTOR

TARGET -> AGONIST

Qualification:

Ki

Amount:

Related Record Type Details


					ENB39R14VF

ESTETROL ANHYDROUS

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC