ESTRAZINOL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H25NO2
Molecular Weight	311.418
Optical Activity	( + / - )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ESTRAZINOL

Structure Search

SMILES

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@@]3([H])N2CCC4=CC(OC)=CC=C34

InChI

InChIKey=NTHOJXSFNBUDMY-ZRNYENFQSA-N

InChI=1S/C20H25NO2/c1-4-20(22)11-8-18-19(20,2)10-7-17-16-6-5-15(23-3)13-14(16)9-12-21(17)18/h1,5-6,13,17-18,22H,7-12H2,2-3H3/t17-,18-,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H25NO2
Molecular Weight	311.418
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://link.springer.com/chapter/10.1007%2F978-1-4757-2085-3_5 | https://www.ncbi.nlm.nih.gov/pubmed/4368700 | https://www.ncbi.nlm.nih.gov/pubmed/5691452

Estrazinol is a synthetic estrogen.

Originator

Approval Year

PubMed

PubMed

Title	Date	PubMed
Doyle P: Azasteroids. II. 8-Aza-19-nortestosterones.	1968	5691452
Estrogenic profile on a water-soluble estrogen, estrazinol hydrobromide.	1973	4368700

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:25:58 GMT 2023` Edited by `admin` on `Fri Dec 15 15:25:58 GMT 2023`
Record UNII	9KLU2E3573
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESTRAZINOL

Official Name

English

8-AZA-19-NORPREGNA-1,3,5(10)-TRIEN-20-YN-17-OL, 3-METHOXY-, (17.ALPHA.)-(±)-

Common Name

English

BENZO(A)CYCLOPENTA(F)QUINOLIZIN-1-OL, 1-ETHYNYL-1,2,3,3A,5,6,10B,11,12,12A-DECAHYDRO-8-METHOXY-12A-METHYL-,(1R,3AR,10BR,12AS)-REL-

Common Name

English

estrazinol [INN]

Common Name

English

(±)-3-METHOXY-8-AZA-19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YN-17-OL

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1821

Created by admin on Fri Dec 15 15:25:58 GMT 2023 , Edited by admin on Fri Dec 15 15:25:58 GMT 2023

Code System Code Type Description

SMS_ID

100000082382

Created by admin on Fri Dec 15 15:25:58 GMT 2023 , Edited by admin on Fri Dec 15 15:25:58 GMT 2023

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WIKIPEDIA

Estrazinol

Created by admin on Fri Dec 15 15:25:58 GMT 2023 , Edited by admin on Fri Dec 15 15:25:58 GMT 2023

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PUBCHEM

10018368

Created by admin on Fri Dec 15 15:25:58 GMT 2023 , Edited by admin on Fri Dec 15 15:25:58 GMT 2023

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INN

2087

Created by admin on Fri Dec 15 15:25:58 GMT 2023 , Edited by admin on Fri Dec 15 15:25:58 GMT 2023

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EVMPD

SUB07248MIG

Created by admin on Fri Dec 15 15:25:58 GMT 2023 , Edited by admin on Fri Dec 15 15:25:58 GMT 2023

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NCI_THESAURUS

C72767

Created by admin on Fri Dec 15 15:25:58 GMT 2023 , Edited by admin on Fri Dec 15 15:25:58 GMT 2023

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FDA UNII

9KLU2E3573

Created by admin on Fri Dec 15 15:25:58 GMT 2023 , Edited by admin on Fri Dec 15 15:25:58 GMT 2023

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CAS

5941-36-6

Created by admin on Fri Dec 15 15:25:58 GMT 2023 , Edited by admin on Fri Dec 15 15:25:58 GMT 2023

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EPA CompTox

DTXSID10208136

Created by admin on Fri Dec 15 15:25:58 GMT 2023 , Edited by admin on Fri Dec 15 15:25:58 GMT 2023

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ChEMBL

CHEMBL2110830

Created by admin on Fri Dec 15 15:25:58 GMT 2023 , Edited by admin on Fri Dec 15 15:25:58 GMT 2023

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Related Record Type Details


					P1NC244SOF

ESTRAZINOL HYDROBROMIDE

SALT/SOLVATE -> PARENT

Related Record Type Details


					9KLU2E3573

ACTIVE MOIETY