escitalopram
Molecular Formula:
C
20
H
21
FN
2
O
InChI:
InChI=1/C20H21FN2O/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/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1
InChIKey:
InChIKey=WSEQXVZVJXJVFP-FQEVSTJZBT
SMILES:
CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
CAS number 128196-01-0
Names:
escitalopram
S(+)-citalopram
(S)-citalopram
(1S)-1-(3-dimethylaminopropyl)-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile
Registries:
PubChem CID 146570
Beilstein =9001444
CAS 128196-01-0 (from NIST)
ChEBI 36791
PubChem ID 10249284