ORESTRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H36O3
Molecular Weight	408.5729
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@H](OC3=CCCCC3)[C@@]1(C)CC[C@]4([H])C5=C(CC[C@@]24[H])C=C(OC(=O)CC)C=C5

InChI

InChIKey=VYAXJSIVAVEVHF-RYIFMDQWSA-N

InChI=1S/C27H36O3/c1-3-26(28)30-20-10-12-21-18(17-20)9-11-23-22(21)15-16-27(2)24(23)13-14-25(27)29-19-7-5-4-6-8-19/h7,10,12,17,22-25H,3-6,8-9,11,13-16H2,1-2H3/t22-,23-,24+,25+,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H36O3
Molecular Weight	408.5729
Charge	0
Count

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

Description
Sources: Hill R.A. , Makin H.L.J., Kirk D.N., Murphy G.M., Dictionary of Steroids, retrieved from: https://books.google.ru/books?id=AI7EnUyeEtUC&pg=PA423&lpg=PA423&dq=ORESTRATE&source=bl&ots=rx5_PsitG6&sig=ACfU3U2wVIYMvL8O3AnCxiSEk4sjgUbbNQ&hl=ru&sa=X&ved=2ahUKEwj8yf-0nfDiAhUz4KYKHXgJC3g4HhDoATAGegQICRAB#v=onepage&q=ORESTRATE&f=false

Orestrate was developed as an estrogenic steroid that has never been marketed.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:27:25 GMT 2023` Edited by `admin` on `Fri Dec 15 16:27:25 GMT 2023`
Record UNII	G9VC23W7W0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ORESTRATE

Official Name

English

orestrate [INN]

Common Name

English

17.BETA.(CYCLOHEXEN-1-YLOXY)-ESTRA-1,3,5(10)-TRIEN-3-OL PROPIONATE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C483

Created by admin on Fri Dec 15 16:27:26 GMT 2023 , Edited by admin on Fri Dec 15 16:27:26 GMT 2023

Code System Code Type Description

PUBCHEM

20055348

Created by admin on Fri Dec 15 16:27:26 GMT 2023 , Edited by admin on Fri Dec 15 16:27:26 GMT 2023

PRIMARY

SMS_ID

100000083346

Created by admin on Fri Dec 15 16:27:26 GMT 2023 , Edited by admin on Fri Dec 15 16:27:26 GMT 2023

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ChEMBL

CHEMBL2105320

Created by admin on Fri Dec 15 16:27:26 GMT 2023 , Edited by admin on Fri Dec 15 16:27:26 GMT 2023

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FDA UNII

G9VC23W7W0

Created by admin on Fri Dec 15 16:27:26 GMT 2023 , Edited by admin on Fri Dec 15 16:27:26 GMT 2023

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CAS

13885-31-9

Created by admin on Fri Dec 15 16:27:25 GMT 2023 , Edited by admin on Fri Dec 15 16:27:25 GMT 2023

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EVMPD

SUB09459MIG

Created by admin on Fri Dec 15 16:27:26 GMT 2023 , Edited by admin on Fri Dec 15 16:27:26 GMT 2023

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EPA CompTox

DTXSID80930230

Created by admin on Fri Dec 15 16:27:26 GMT 2023 , Edited by admin on Fri Dec 15 16:27:26 GMT 2023

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NCI_THESAURUS

C76997

Created by admin on Fri Dec 15 16:27:26 GMT 2023 , Edited by admin on Fri Dec 15 16:27:26 GMT 2023

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WIKIPEDIA

Orestrate

Created by admin on Fri Dec 15 16:27:26 GMT 2023 , Edited by admin on Fri Dec 15 16:27:26 GMT 2023

PRIMARY

INN

2220

Created by admin on Fri Dec 15 16:27:26 GMT 2023 , Edited by admin on Fri Dec 15 16:27:26 GMT 2023

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Related Record Type Details


					G9VC23W7W0

ORESTRATE

ACTIVE MOIETY