ROXOPERONE

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H23FN2O3
Molecular Weight	346.3959
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ROXOPERONE

Structure Search

SMILES

CN1C(=O)CC2(CCN(CCCC(=O)C3=CC=C(F)C=C3)CC2)C1=O

InChI

InChIKey=YJPFLFAWBYRCEH-UHFFFAOYSA-N

InChI=1S/C19H23FN2O3/c1-21-17(24)13-19(18(21)25)8-11-22(12-9-19)10-2-3-16(23)14-4-6-15(20)7-5-14/h4-7H,2-3,8-13H2,1H3

HIDE SMILES / InChI

Molecular Formula	C19H23FN2O3
Molecular Weight	346.3959
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: Milne George W.A., Drugs: Synonyms and Properties: Synonyms and Properties, retrieved from: https://books.google.ru/books?id=xUlaDwAAQBAJ&pg=PT1178&lpg=PT1178&dq=ROXOPERONE&source=bl&ots=CnAWlSbyfQ&sig=ACfU3U2GAeN8Og_tYNdhAp8PfuOGIp3qzg&hl=ru&sa=X&ved=2ahUKEwjjhJXO2ofjAhVxxMQBHVjJBKQ4ChDoATAIegQICRAB#v=onepage&q=ROXOPERONE&f=false

Roxoperone was developed as an anxiolytic agent. Information about the further development of this compound is not available.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:28:41 GMT 2023` Edited by `admin` on `Fri Dec 15 16:28:41 GMT 2023`
Record UNII	5RS1CY853F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ROXOPERONE

Official Name

English

NSC-186062

Code

English

roxoperone [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C28197

Created by admin on Fri Dec 15 16:28:41 GMT 2023 , Edited by admin on Fri Dec 15 16:28:41 GMT 2023

Code System Code Type Description

NSC

186062

Created by admin on Fri Dec 15 16:28:41 GMT 2023 , Edited by admin on Fri Dec 15 16:28:41 GMT 2023

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NCI_THESAURUS

C76446

Created by admin on Fri Dec 15 16:28:41 GMT 2023 , Edited by admin on Fri Dec 15 16:28:41 GMT 2023

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FDA UNII

5RS1CY853F

Created by admin on Fri Dec 15 16:28:41 GMT 2023 , Edited by admin on Fri Dec 15 16:28:41 GMT 2023

PRIMARY

PUBCHEM

71117

Created by admin on Fri Dec 15 16:28:41 GMT 2023 , Edited by admin on Fri Dec 15 16:28:41 GMT 2023

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EPA CompTox

DTXSID20182317

Created by admin on Fri Dec 15 16:28:41 GMT 2023 , Edited by admin on Fri Dec 15 16:28:41 GMT 2023

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CAS

2804-00-4

Created by admin on Fri Dec 15 16:28:41 GMT 2023 , Edited by admin on Fri Dec 15 16:28:41 GMT 2023

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INN

2233

Created by admin on Fri Dec 15 16:28:41 GMT 2023 , Edited by admin on Fri Dec 15 16:28:41 GMT 2023

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ChEMBL

CHEMBL2107081

Created by admin on Fri Dec 15 16:28:41 GMT 2023 , Edited by admin on Fri Dec 15 16:28:41 GMT 2023

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SMS_ID

100000084368

Created by admin on Fri Dec 15 16:28:41 GMT 2023 , Edited by admin on Fri Dec 15 16:28:41 GMT 2023

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EVMPD

SUB10402MIG

Created by admin on Fri Dec 15 16:28:41 GMT 2023 , Edited by admin on Fri Dec 15 16:28:41 GMT 2023

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					5RS1CY853F

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