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Details

Stereochemistry RACEMIC
Molecular Formula C20H21FN2O2
Molecular Weight 340.3913
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CITALOPRAM N-OXIDE

SMILES

C[N+](C)([O-])CCCC1(OCC2=CC(=CC=C12)C#N)C3=CC=C(F)C=C3

InChI

InChIKey=DIOGFDCEWUUSBQ-UHFFFAOYSA-N
InChI=1S/C20H21FN2O2/c1-23(2,24)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-25-20/h4-9,12H,3,10-11,14H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
CITALOPRAM N-OXIDE
Common Name English
5-ISOBENZOFURANCARBONITRILE, 1-(3-(DIMETHYLOXIDOAMINO)PROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDRO-
Systematic Name English
CITALOPRAM RELATED COMPOUND E [USP IMPURITY]
Common Name English
1-(3-(DIMETHYLOXIDOAMINO)PROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDRO-5-ISOBENZOFURANCARBONITRILE
Systematic Name English
LU-11-305
Code English
Code System Code Type Description
FDA UNII
9E2C7VT4RR
Created by admin on Sat Dec 16 18:36:51 UTC 2023 , Edited by admin on Sat Dec 16 18:36:51 UTC 2023
PRIMARY
PUBCHEM
10068142
Created by admin on Sat Dec 16 18:36:51 UTC 2023 , Edited by admin on Sat Dec 16 18:36:51 UTC 2023
PRIMARY
CAS
63284-72-0
Created by admin on Sat Dec 16 18:36:51 UTC 2023 , Edited by admin on Sat Dec 16 18:36:51 UTC 2023
PRIMARY
EPA CompTox
DTXSID50435141
Created by admin on Sat Dec 16 18:36:51 UTC 2023 , Edited by admin on Sat Dec 16 18:36:51 UTC 2023
PRIMARY