ESTRAPRONICATE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H31NO4
Molecular Weight	433.5393
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ESTRAPRONICATE

Structure Search

SMILES

[H][C@@]12CC[C@H](OC(=O)C3=CC=CN=C3)[C@@]1(C)CC[C@]4([H])C5=CC=C(OC(=O)CC)C=C5CC[C@@]24[H]

InChI

InChIKey=FXMSQUVSUXBBAB-TXDQRGGKSA-N

InChI=1S/C27H31NO4/c1-3-25(29)31-19-7-9-20-17(15-19)6-8-22-21(20)12-13-27(2)23(22)10-11-24(27)32-26(30)18-5-4-14-28-16-18/h4-5,7,9,14-16,21-24H,3,6,8,10-13H2,1-2H3/t21-,22-,23+,24+,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H31NO4
Molecular Weight	433.5393
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://link.springer.com/book/10.1007/978-1-4757-2085-3

Estrapronicate is a synthetic estrogen exerting anabolic properties.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:27:24 GMT 2023` Edited by `admin` on `Fri Dec 15 16:27:24 GMT 2023`
Record UNII	BC621AC03L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESTRAPRONICATE

Official Name

English

estrapronicate [INN]

Common Name

English

ESTRAPRONICATE [MART.]

Common Name

English

Estrapronicate [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2181

Created by admin on Fri Dec 15 16:27:24 GMT 2023 , Edited by admin on Fri Dec 15 16:27:24 GMT 2023

Code System Code Type Description

WIKIPEDIA

Estrapronicate

Created by admin on Fri Dec 15 16:27:24 GMT 2023 , Edited by admin on Fri Dec 15 16:27:24 GMT 2023

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SMS_ID

100000082362

Created by admin on Fri Dec 15 16:27:24 GMT 2023 , Edited by admin on Fri Dec 15 16:27:24 GMT 2023

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NCI_THESAURUS

C65542

Created by admin on Fri Dec 15 16:27:24 GMT 2023 , Edited by admin on Fri Dec 15 16:27:24 GMT 2023

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EPA CompTox

DTXSID70961659

Created by admin on Fri Dec 15 16:27:24 GMT 2023 , Edited by admin on Fri Dec 15 16:27:24 GMT 2023

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CAS

4140-20-9

Created by admin on Fri Dec 15 16:27:24 GMT 2023 , Edited by admin on Fri Dec 15 16:27:24 GMT 2023

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MESH

C037986

Created by admin on Fri Dec 15 16:27:24 GMT 2023 , Edited by admin on Fri Dec 15 16:27:24 GMT 2023

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FDA UNII

BC621AC03L

Created by admin on Fri Dec 15 16:27:24 GMT 2023 , Edited by admin on Fri Dec 15 16:27:24 GMT 2023

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PUBCHEM

66433

Created by admin on Fri Dec 15 16:27:24 GMT 2023 , Edited by admin on Fri Dec 15 16:27:24 GMT 2023

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ChEMBL

CHEMBL2106233

Created by admin on Fri Dec 15 16:27:24 GMT 2023 , Edited by admin on Fri Dec 15 16:27:24 GMT 2023

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ECHA (EC/EINECS)

223-964-6

Created by admin on Fri Dec 15 16:27:24 GMT 2023 , Edited by admin on Fri Dec 15 16:27:24 GMT 2023

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EVMPD

SUB07247MIG

Created by admin on Fri Dec 15 16:27:24 GMT 2023 , Edited by admin on Fri Dec 15 16:27:24 GMT 2023

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INN

3843

Created by admin on Fri Dec 15 16:27:24 GMT 2023 , Edited by admin on Fri Dec 15 16:27:24 GMT 2023

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Related Record Type Details


					BC621AC03L

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