Analyte Name

4-((1S)-4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile Hemi-(+)-di-p-toluoyltartrate

CAS Number

128173-53-5

Molecular Formula

2C20H23FN2O2.C20H18O8

Molecular Weight

1071.1666

Accurate Mass

1070.449

SMILES

CN(C)CCC[C@](O)(c1ccc(F)cc1)c2ccc(cc2CO)C#N.CN(C)CCC[C@](O)(c3ccc(F)cc3)c4ccc(cc4CO)C#N.Cc5ccc(cc5)C(=O)O[C@@H]([C@H](OC(=O)c6ccc(C)cc6)C(=O)O)C(=O)O

InChI

InChI=1S/2C20H23FN2O2.C20H18O8/c2*1-23(2)11-3-10-20(25,17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24;1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h2*4-9,12,24-25H,3,10-11,14H2,1-2H3;3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t2*20-;15-,16-/m000/s1

IUPAC

(2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;4-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Escitalopram Oxalate