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

Details

Stereochemistry RACEMIC
Molecular Formula C20H22N2O
Molecular Weight 306.4015
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESFLUOROCITALOPRAM

SMILES

CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C3=CC=CC=C3

InChI

InChIKey=DCABXDIJRCWHAL-UHFFFAOYSA-N
InChI=1S/C20H22N2O/c1-22(2)12-6-11-20(18-7-4-3-5-8-18)19-10-9-16(14-21)13-17(19)15-23-20/h3-5,7-10,13H,6,11-12,15H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H22N2O
Molecular Weight 306.4015
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:37:18 GMT 2023
Edited
by admin
on Sat Dec 16 18:37:18 GMT 2023
Record UNII
56WEU97NVD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESFLUOROCITALOPRAM
Common Name English
5-ISOBENZOFURANCARBONITRILE, 1-(3-(DIMETHYLAMINO)PROPYL)-1,3-DIHYDRO-1-PHENYL-
Common Name English
1-(3-(DIMETHYLAMINO)PROPYL)-1-PHENYL-1,3-DIHYDRO-5-ISOBENZOFURANCARBONITRILE
Systematic Name English
1-(3-(DIMETHYLAMINO)PROPYL)-1,3-DIHYDRO-1-PHENYL-5-ISOBENZOFURANCARBONITRILE
Common Name English
Code System Code Type Description
PUBCHEM
11392617
Created by admin on Sat Dec 16 18:37:18 GMT 2023 , Edited by admin on Sat Dec 16 18:37:18 GMT 2023
PRIMARY
CAS
1026009-77-7
Created by admin on Sat Dec 16 18:37:18 GMT 2023 , Edited by admin on Sat Dec 16 18:37:18 GMT 2023
PRIMARY
FDA UNII
56WEU97NVD
Created by admin on Sat Dec 16 18:37:18 GMT 2023 , Edited by admin on Sat Dec 16 18:37:18 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT