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Details

Stereochemistry RACEMIC
Molecular Formula C20H23FN2O2
Molecular Weight 342.4072
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3-DIMETHYLAMINOPROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDROISOBENZOFURAN-5-CARBOXAMIDE

SMILES

CN(C)CCCC1(OCC2=C1C=CC(=C2)C(N)=O)C3=CC=C(F)C=C3

InChI

InChIKey=LYYWQJNKWCANAC-UHFFFAOYSA-N
InChI=1S/C20H23FN2O2/c1-23(2)11-3-10-20(16-5-7-17(21)8-6-16)18-9-4-14(19(22)24)12-15(18)13-25-20/h4-9,12H,3,10-11,13H2,1-2H3,(H2,22,24)

HIDE SMILES / InChI

Molecular Formula C20H23FN2O2
Molecular Weight 342.4072
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 Dec 15 16:47:29 UTC 2023
Edited
by admin
on Fri Dec 15 16:47:29 UTC 2023
Record UNII
BP83XJ2B6A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(3-DIMETHYLAMINOPROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDROISOBENZOFURAN-5-CARBOXAMIDE
Systematic Name English
5-ISOBENZOFURANCARBOXAMIDE, 1-(3-(DIMETHYLAMINO)PROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDRO-
Systematic Name English
CITALOPRAM RELATED COMPOUND A [USP-RS]
Common Name English
(±)-1-(3-DIMETHYLAMINOPROPYL)-1-(4'-FLUOROPHENYL)-1,3-DIHYDROISOBENZOFURAN-5-CARBOXAMIDE
Common Name English
CITALOPRAM RELATED COMPOUND A
USP   USP-RS  
Common Name English
CITALOPRAM HYDROBROMIDE IMPURITY A [EP IMPURITY]
Common Name English
CITALOPRAM HYDROCHLORIDE IMPURITY A [EP IMPURITY]
Common Name English
1-(3-DIMETHYLAMINOPROPYL)-1-(4'-FLUOROPHENYL)-1,3-DIHYDROISOBENZOFURAN-5-CARBOXAMIDE
Common Name English
CITALOPRAM RELATED COMPOUND A [USP IMPURITY]
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1134244
Created by admin on Fri Dec 15 16:47:30 UTC 2023 , Edited by admin on Fri Dec 15 16:47:30 UTC 2023
PRIMARY
FDA UNII
BP83XJ2B6A
Created by admin on Fri Dec 15 16:47:30 UTC 2023 , Edited by admin on Fri Dec 15 16:47:30 UTC 2023
PRIMARY
PUBCHEM
10193515
Created by admin on Fri Dec 15 16:47:30 UTC 2023 , Edited by admin on Fri Dec 15 16:47:30 UTC 2023
PRIMARY
CAS
64372-56-1
Created by admin on Fri Dec 15 16:47:30 UTC 2023 , Edited by admin on Fri Dec 15 16:47:30 UTC 2023
PRIMARY
EPA CompTox
DTXSID10881084
Created by admin on Fri Dec 15 16:47:30 UTC 2023 , Edited by admin on Fri Dec 15 16:47:30 UTC 2023
PRIMARY
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