CITALOPRAM OXALATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H21FN2O.C2H2O4
Molecular Weight	414.4268
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(OCC2=C1C=CC(=C2)C#N)C3=CC=C(F)C=C3

InChI

InChIKey=KTGRHKOEFSJQNS-UHFFFAOYSA-N

InChI=1S/C20H21FN2O.C2H2O4/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;3-1(4)2(5)6/h4-9,12H,3,10-11,14H2,1-2H3;(H,3,4)(H,5,6)

HIDE SMILES / InChI

Molecular Formula	C20H21FN2O
Molecular Weight	324.3919
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:36:31 UTC 2023` Edited by `admin` on `Sat Dec 16 11:36:31 UTC 2023`
Record UNII	B5RDX2419X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CITALOPRAM OXALATE

Common Name

English

(±)-CITALOPRAM OXALATE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

207559-01-1

Created by admin on Sat Dec 16 11:36:31 UTC 2023 , Edited by admin on Sat Dec 16 11:36:31 UTC 2023

PRIMARY

SMS_ID

100000175895

Created by admin on Sat Dec 16 11:36:31 UTC 2023 , Edited by admin on Sat Dec 16 11:36:31 UTC 2023

PRIMARY

PUBCHEM

21871605

Created by admin on Sat Dec 16 11:36:31 UTC 2023 , Edited by admin on Sat Dec 16 11:36:31 UTC 2023

PRIMARY

FDA UNII

B5RDX2419X

Created by admin on Sat Dec 16 11:36:31 UTC 2023 , Edited by admin on Sat Dec 16 11:36:31 UTC 2023

PRIMARY

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