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

Details

Stereochemistry MIXED
Molecular Formula C20H21FN2O2
Molecular Weight 340.3913
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXY CITALOPRAM

SMILES

CN(C)CCCC1(OC(O)C2=C1C=CC(=C2)C#N)C3=CC=C(F)C=C3

InChI

InChIKey=LJPQJFHBFOOIHE-UHFFFAOYSA-N
InChI=1S/C20H21FN2O2/c1-23(2)11-3-10-20(15-5-7-16(21)8-6-15)18-9-4-14(13-22)12-17(18)19(24)25-20/h4-9,12,19,24H,3,10-11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H21FN2O2
Molecular Weight 340.3913
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:33:00 GMT 2023
Edited
by admin
on Fri Dec 15 17:33:00 GMT 2023
Record UNII
N6MF4568AR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXY CITALOPRAM
Common Name English
5-ISOBENZOFURANCARBONITRILE, 1-(3-(DIMETHYLAMINO)PROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDRO-3-HYDROXY-
Systematic Name English
CITALOPRAM RELATED COMPOUND B [USP IMPURITY]
Common Name English
1-(3-DIMETHYLAMINOPROPYL)-1-(4-FLUOROPHENYL)-3-HYDROXY-1,3-DIHYDROISOBENZOFURAN-5-CARBONITRILE
Systematic Name English
CITALOPRAM HYDROCHLORIDE IMPURITY B [EP IMPURITY]
Common Name English
CITALOPRAM RELATED COMPOUND B [USP-RS]
Common Name English
CITALOPRAM HYDROBROMIDE IMPURITY B [EP IMPURITY]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID301116847
Created by admin on Fri Dec 15 17:33:00 GMT 2023 , Edited by admin on Fri Dec 15 17:33:00 GMT 2023
PRIMARY
FDA UNII
N6MF4568AR
Created by admin on Fri Dec 15 17:33:00 GMT 2023 , Edited by admin on Fri Dec 15 17:33:00 GMT 2023
PRIMARY
RS_ITEM_NUM
1134255
Created by admin on Fri Dec 15 17:33:00 GMT 2023 , Edited by admin on Fri Dec 15 17:33:00 GMT 2023
PRIMARY
PUBCHEM
11267809
Created by admin on Fri Dec 15 17:33:00 GMT 2023 , Edited by admin on Fri Dec 15 17:33:00 GMT 2023
PRIMARY
CAS
411221-53-9
Created by admin on Fri Dec 15 17:33:00 GMT 2023 , Edited by admin on Fri Dec 15 17:33:00 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP