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Details

Stereochemistry RACEMIC
Molecular Formula C18H17FN2O
Molecular Weight 296.3395
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIDESMETHYLCITALOPRAM

SMILES

C(CC1(c2ccc(cc2)F)c3ccc(cc3CO1)C#N)CN

InChI

InChIKey=RKUKMUWCRLRPEJ-UHFFFAOYSA-N
InChI=1S/C18H17FN2O/c19-16-5-3-15(4-6-16)18(8-1-9-20)17-7-2-13(11-21)10-14(17)12-22-18/h2-7,10H,1,8-9,12,20H2

HIDE SMILES / InChI

Molecular Formula C18H17FN2O
Molecular Weight 296.3395
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 Jun 26 04:05:42 UTC 2021
Edited
by admin
on Sat Jun 26 04:05:42 UTC 2021
Record UNII
ZE9YVI4ZEE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIDESMETHYLCITALOPRAM
Common Name English
DIDEMETHYLCITALOPRAM
Common Name English
LU 11-161
Common Name English
5-ISOBENZOFURANCARBONITRILE, 1-(3-AMINOPROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDRO-
Common Name English
1-(3-AMINOPROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDROISOBENZOFURAN-5-CARBONITRILE
Common Name English
RAC-DIDESMETHYLCITALOPRAM
Common Name English
N-DESMETHYLCITALOPRAM
Common Name English
Code System Code Type Description
PUBCHEM
162976
Created by admin on Sat Jun 26 04:05:42 UTC 2021 , Edited by admin on Sat Jun 26 04:05:42 UTC 2021
PRIMARY
FDA UNII
ZE9YVI4ZEE
Created by admin on Sat Jun 26 04:05:42 UTC 2021 , Edited by admin on Sat Jun 26 04:05:42 UTC 2021
PRIMARY
CAS
62498-69-5
Created by admin on Sat Jun 26 04:05:42 UTC 2021 , Edited by admin on Sat Jun 26 04:05:42 UTC 2021
PRIMARY
Related Record Type Details
BINDER->LIGAND
Related Record Type Details
PARENT -> METABOLITE INACTIVE