CAS Registry Number®
219861-08-2
CAS Name
Escitalopram oxalate
Molecular Formula
C20H21FN2O.C2H2O4
Compound Properties
-
Melting Point (1)
144-146 °C
Source(s)
- (1) Zhang, Peng; Journal of Medicinal Chemistry, (2010), 53(16), 6112-6121, CAplus
Other Names and Identifiers
InChI
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)
InChIKey
InChIKey=KTGRHKOEFSJQNS-UHFFFAOYSA-N
SMILES
C(C(O)=O)(O)=O.C(CCN(C)C)C1(C=2C(CO1)=CC(C#N)=CC2)C3=CC=C(F)C=C3
Canonical SMILES
N#CC1=CC=C2C(=C1)COC2(C3=CC=C(F)C=C3)CCCN(C)C.O=C(O)C(=O)O
Other Names for this Substance
- 5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, (1S)-, ethanedioate (1:1)
- Escitalopram oxalate
- Lu 26-054-0
- Lexapro
- Cipralex
- (+)-(S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile oxalate (1:1)
- (S)-(+)Citalopram oxalate
- Cipra-Pro
- Szetalo
