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Details

Stereochemistry RACEMIC
Molecular Formula C20H22N2O.ClH
Molecular Weight 342.862
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESFLUOROCITALOPRAM HYDROCHLORIDE

SMILES

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

InChI

InChIKey=VRJUVTZACLHYJH-UHFFFAOYSA-N
InChI=1S/C20H22N2O.ClH/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;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 18:38:06 GMT 2023
Edited
by admin
on Sat Dec 16 18:38:06 GMT 2023
Record UNII
PJC7U748LP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESFLUOROCITALOPRAM HYDROCHLORIDE
Common Name English
5-ISOBENZOFURANCARBONITRILE, 1-(3-(DIMETHYLAMINO)PROPYL)-1,3-DIHYDRO-1-PHENYL-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
PJC7U748LP
Created by admin on Sat Dec 16 18:38:06 GMT 2023 , Edited by admin on Sat Dec 16 18:38:06 GMT 2023
PRIMARY
CAS
1148027-85-3
Created by admin on Sat Dec 16 18:38:06 GMT 2023 , Edited by admin on Sat Dec 16 18:38:06 GMT 2023
PRIMARY
PUBCHEM
42606627
Created by admin on Sat Dec 16 18:38:06 GMT 2023 , Edited by admin on Sat Dec 16 18:38:06 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE