U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C25H33FN2O2
Molecular Weight 412.5401
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-DIMETHYLAMINOBUTYRYL CITALOPRAM

SMILES

CN(C)CCCC(=O)C1=CC2=C(C=C1)C(CCCN(C)C)(OC2)C3=CC=C(F)C=C3

InChI

InChIKey=AQRPROCETRZTEF-UHFFFAOYSA-N
InChI=1S/C25H33FN2O2/c1-27(2)15-5-7-24(29)19-8-13-23-20(17-19)18-30-25(23,14-6-16-28(3)4)21-9-11-22(26)12-10-21/h8-13,17H,5-7,14-16,18H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
5-DIMETHYLAMINOBUTYRYL CITALOPRAM
Common Name English
ESCITALOPRAM OXALATE IMPURITY, 6 5-DIMETHYLAMINOBUTYRYL CITALOPRAM- [USP IMPURITY]
Common Name English
CITALOPRAM HYDROBROMIDE IMPURITY G [EP IMPURITY]
Common Name English
O21-BUTANONE, 4-(DIMETHYLAMINO)-1-(1-(3-(DIMETHYLAMINO)PROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDRO-5-ISOBENZOFURANYL)-
Common Name English
1-(3-DIMETHYLAMINOPROPYL)-1-(4'-FLUOROPHENYL)-5-(4-DIMETHYLAMINOBUTYRYL)-1,3-DIHYDROISOBENZOFURAN
Common Name English
(±)-5-DIMETHYLAMINOBUTYRYL CITALOPRAM
Common Name English
Code System Code Type Description
CAS
1329745-98-3
Created by admin on Fri Dec 15 17:32:56 GMT 2023 , Edited by admin on Fri Dec 15 17:32:56 GMT 2023
PRIMARY
PUBCHEM
56643874
Created by admin on Fri Dec 15 17:32:56 GMT 2023 , Edited by admin on Fri Dec 15 17:32:56 GMT 2023
PRIMARY
FDA UNII
2QX66DW22E
Created by admin on Fri Dec 15 17:32:56 GMT 2023 , Edited by admin on Fri Dec 15 17:32:56 GMT 2023
PRIMARY