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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H21FN2O.C2H2O4
Molecular Weight 414.4268
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CITALOPRAM OXALATE, (R)-

SMILES

OC(=O)C(O)=O.CN(C)CCC[C@@]1(OCC2=C1C=CC(=C2)C#N)C3=CC=C(F)C=C3

InChI

InChIKey=KTGRHKOEFSJQNS-VEIFNGETSA-N
InChI=1S/C20H21FN2O.C2H2O4/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;3-1(4)2(5)6/h4-9,12H,3,10-11,14H2,1-2H3;(H,3,4)(H,5,6)/t20-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C20H21FN2O
Molecular Weight 324.3919
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C2H2O4
Molecular Weight 90.0349
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:36:31 GMT 2023
Edited
by admin
on Sat Dec 16 11:36:31 GMT 2023
Record UNII
LQ4I38573N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CITALOPRAM OXALATE, (R)-
Common Name English
R-CITALOPRAM OXALATE [USP-RS]
Common Name English
R-(-)-CITALOPRAM OXALATE
Common Name English
5-ISOBENZOFURANCARBONITRILE, 1-(3-(DIMETHYLAMINO)PROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDRO-, (1R)-, ETHANEDIOATE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
45038690
Created by admin on Sat Dec 16 11:36:32 GMT 2023 , Edited by admin on Sat Dec 16 11:36:32 GMT 2023
PRIMARY
FDA UNII
LQ4I38573N
Created by admin on Sat Dec 16 11:36:32 GMT 2023 , Edited by admin on Sat Dec 16 11:36:32 GMT 2023
PRIMARY
CAS
219861-53-7
Created by admin on Sat Dec 16 11:36:32 GMT 2023 , Edited by admin on Sat Dec 16 11:36:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID00661872
Created by admin on Sat Dec 16 11:36:32 GMT 2023 , Edited by admin on Sat Dec 16 11:36:32 GMT 2023
PRIMARY
RS_ITEM_NUM
1134142
Created by admin on Sat Dec 16 11:36:32 GMT 2023 , Edited by admin on Sat Dec 16 11:36:32 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER