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Details

Stereochemistry RACEMIC
Molecular Formula C19H19FN2O
Molecular Weight 310.3661
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESMETHYLCITALOPRAM

SMILES

CNCCCC1(c2ccc(cc2)F)c3ccc(cc3CO1)C#N

InChI

InChIKey=PTJADDMMFYXMMG-UHFFFAOYSA-N
InChI=1S/C19H19FN2O/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

HIDE SMILES / InChI

Molecular Formula C19H19FN2O
Molecular Weight 310.3661
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 Fri Jun 25 21:22:43 UTC 2021
Edited
by admin
on Fri Jun 25 21:22:43 UTC 2021
Record UNII
3KBX9104IR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESMETHYLCITALOPRAM
Common Name English
CITALOPRAM RELATED COMPOUND D [USP]
Common Name English
5-ISOBENZOFURANCARBONITRILE, 1-(4-FLUOROPHENYL)-1,3-DIHYDRO-1-(3-(METHYLAMINO)PROPYL)-
Systematic Name English
1-(4-FLUOROPHENYL)-1-(3-METHYLAMINOPROPYL)-1,3-DIHYDROISOBENZOFURAN-5-CARBONITRILE
Systematic Name English
CITALOPRAM RELATED COMPOUND D [USP-RS]
Common Name English
(+/-)-N-DEMETHYLCITALOPRAM
Common Name English
RAC-DESMETHYLCITALOPRAM
Common Name English
CITALOPRAM HYDROCHLORIDE IMPURITY D [EP]
Common Name English
CITALOPRAM HYDROBROMIDE IMPURITY D [EP]
Common Name English
NORCITALOPRAM
Common Name English
DESMETHYL CITALOPRAM
Common Name English
CITALOPRAM HYDROBROMIDE SPECIFIED IMPURITY D [EP]
Common Name English
MONODESMETHYLCITALOPRAM
Common Name English
LU 11-109
Code English
DEMETHYLCITALOPRAM
Common Name English
Code System Code Type Description
PUBCHEM
162180
Created by admin on Fri Jun 25 21:22:44 UTC 2021 , Edited by admin on Fri Jun 25 21:22:44 UTC 2021
PRIMARY
CAS
62498-67-3
Created by admin on Fri Jun 25 21:22:44 UTC 2021 , Edited by admin on Fri Jun 25 21:22:44 UTC 2021
PRIMARY
ECHA (EC/EINECS)
263-573-8
Created by admin on Fri Jun 25 21:22:44 UTC 2021 , Edited by admin on Fri Jun 25 21:22:44 UTC 2021
PRIMARY
USP_CATALOG
1134277
Created by admin on Fri Jun 25 21:22:44 UTC 2021 , Edited by admin on Fri Jun 25 21:22:44 UTC 2021
PRIMARY USP-RS
FDA UNII
3KBX9104IR
Created by admin on Fri Jun 25 21:22:44 UTC 2021 , Edited by admin on Fri Jun 25 21:22:44 UTC 2021
PRIMARY
WIKIPEDIA
DESMETHYLCITALOPRAM
Created by admin on Fri Jun 25 21:22:44 UTC 2021 , Edited by admin on Fri Jun 25 21:22:44 UTC 2021
PRIMARY
Related Record Type Details
BINDER->LIGAND
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> METABOLITE INACTIVE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP