3-OXOCITALOPRAM

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

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H19FN2O2
Molecular Weight	338.3755
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-OXOCITALOPRAM

Structure Search

SMILES

CN(C)CCCC1(OC(=O)C2=C1C=CC(=C2)C#N)C3=CC=C(F)C=C3

InChI

InChIKey=ASGSMDPSNUXWMB-UHFFFAOYSA-N

InChI=1S/C20H19FN2O2/c1-23(2)11-3-10-20(15-5-7-16(21)8-6-15)18-9-4-14(13-22)12-17(18)19(24)25-20/h4-9,12H,3,10-11H2,1-2H3

HIDE SMILES / InChI

Approval Year

Patents

Patents

Name

Type

Language

3-OXOCITALOPRAM

Common Name

English

CITALOPRAM RELATED COMPOUND C [USP IMPURITY]

Common Name

English

CITALOPRAM RELATED COMPOUND C [USP-RS]

Common Name

English

5-ISOBENZOFURANCARBONITRILE, 1-(3-(DIMETHYLAMINO)PROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDRO-3-OXO-

Systematic Name

English

CITALOPRAM HYDROBROMIDE IMPURITY C [EP IMPURITY]

Common Name

English

CITALOPRAM HYDROCHLORIDE IMPURITY C [EP IMPURITY]

Common Name

English

3-(3-DIMETHYLAMINOPROPYL)-3-(4-FLUOROPHENYL)-6-CYANO-1(3H)-ISOBENZOFURANONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

11484526

Created by admin on Fri Dec 15 17:00:59 GMT 2023 , Edited by admin on Fri Dec 15 17:00:59 GMT 2023

PRIMARY

EPA CompTox

DTXSID30881081

Created by admin on Fri Dec 15 17:00:59 GMT 2023 , Edited by admin on Fri Dec 15 17:00:59 GMT 2023

PRIMARY

CAS

372941-54-3

Created by admin on Fri Dec 15 17:00:59 GMT 2023 , Edited by admin on Fri Dec 15 17:00:59 GMT 2023

PRIMARY

RS_ITEM_NUM

1134266

Created by admin on Fri Dec 15 17:00:59 GMT 2023 , Edited by admin on Fri Dec 15 17:00:59 GMT 2023

PRIMARY

FDA UNII

506NY8085H

Created by admin on Fri Dec 15 17:00:59 GMT 2023 , Edited by admin on Fri Dec 15 17:00:59 GMT 2023

PRIMARY

SALT/SOLVATE (PARENT)


					MJH9W62EFS

3-OXOCITALOPRAM OXALATE

SUBSTANCE RECORD


					506NY8085H

3-OXOCITALOPRAM