3-OXOCITALOPRAM OXALATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H19FN2O2.C2H2O4
Molecular Weight	428.4103
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=OOOSHXRAOKIVNG-UHFFFAOYSA-N

InChI=1S/C20H19FN2O2.C2H2O4/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;3-1(4)2(5)6/h4-9,12H,3,10-11H2,1-2H3;(H,3,4)(H,5,6)

HIDE SMILES / InChI

Molecular Formula	C2H2O4
Molecular Weight	90.0349
Charge	0
Count

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

Molecular Formula	C20H19FN2O2
Molecular Weight	338.3755
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Wed Apr 02 11:28:08 GMT 2025` Edited by `admin` on `Wed Apr 02 11:28:08 GMT 2025`
Record UNII	MJH9W62EFS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CITALOPRAM RELATED COMPOUND C

Preferred Name

English

3-OXOCITALOPRAM OXALATE

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

MJH9W62EFS

Created by admin on Wed Apr 02 11:28:08 GMT 2025 , Edited by admin on Wed Apr 02 11:28:08 GMT 2025

PRIMARY

PUBCHEM

129318459

Created by admin on Wed Apr 02 11:28:08 GMT 2025 , Edited by admin on Wed Apr 02 11:28:08 GMT 2025

PRIMARY

CAS

1440961-11-4

Created by admin on Wed Apr 02 11:28:08 GMT 2025 , Edited by admin on Wed Apr 02 11:28:08 GMT 2025

PRIMARY

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