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Details

Stereochemistry RACEMIC
Molecular Formula C19H19FN2O.ClH
Molecular Weight 346.826
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESMETHYL CITALOPRAM HYDROCHLORIDE

SMILES

Cl.CNCCCC1(OCC2=C1C=CC(=C2)C#N)C3=CC=C(F)C=C3

InChI

InChIKey=DYIZNULSIBGJPJ-UHFFFAOYSA-N
InChI=1S/C19H19FN2O.ClH/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19;/h3-8,11,22H,2,9-10,13H2,1H3;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 C19H19FN2O
Molecular Weight 310.3654
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 Thu Jul 06 00:24:13 UTC 2023
Edited
by admin
on Thu Jul 06 00:24:13 UTC 2023
Record UNII
461OE8B9GL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESMETHYL CITALOPRAM HYDROCHLORIDE
Common Name English
5-ISOBENZOFURANCARBONITRILE, 1-(4-FLUOROPHENYL)-1,3-DIHYDRO-1-(3-(METHYLAMINO)PROPYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
1-(4-FLUOROPHENYL)-1,3-DIHYDRO-1-(3-(METHYLAMINO)PROPYL)-5-ISOBENZOFURANCARBONITRILE HYDROCHLORIDE
Systematic Name English
USP CITALOPRAM RELATED COMPOUND D [USP IMPURITY]
Common Name English
5-ISOBENZOFURANCARBONITRILE, 1-(4-FLUOROPHENYL)-1,3-DIHYDRO-1-(3-(METHYLAMINO)PROPYL)-, MONOHYDROCHLORIDE
Common Name English
(±)-DESMETHYL CITALOPRAM HYDROCHLORIDE
Common Name English
LU 11-109C
Code English
1-(4-FLUOROPHENYL)-1-(3-(METHYLAMINO)PROPYL)-1,3-DIHYDROISOBENZOFURAN-5-CARBONITRILE HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
46780600
Created by admin on Thu Jul 06 00:24:14 UTC 2023 , Edited by admin on Thu Jul 06 00:24:14 UTC 2023
PRIMARY
FDA UNII
461OE8B9GL
Created by admin on Thu Jul 06 00:24:14 UTC 2023 , Edited by admin on Thu Jul 06 00:24:14 UTC 2023
PRIMARY
CAS
97743-99-2
Created by admin on Thu Jul 06 00:24:14 UTC 2023 , Edited by admin on Thu Jul 06 00:24:14 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE