(S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile Di-p-toluoyl-D-tartrate Salt (2:1)

CAS: 128173-53-5

Ref. TR-D474065

Product Information

• Name: (S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile Di-p-toluoyl-D-tartrate Salt (2:1)
• Synonyms: Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2S,3S)-, compd. with 4-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile (1:2), Benzonitrile, 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-, (S)-, (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioate (2:1) (salt) (9CI), Escitalopram Related Compound A as Hemi-di-toluoyltartrate, Escitalopram Oxalate Impurity E as (S)-Enantiomer Ditoluoyltartrate, Escitalopram Impurity E as (S)-Enantiomer Ditoluoyltartrate, (1S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hemi-(+)-di(p-toluoyl)tartrate, (S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioate (2:1), Benzonitrile, 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-, (S)-, (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioate (2:1) (salt), Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2S,3S)-, compd. with 4-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile (1:2)

Description

Impurity Escitalopram USP Related Compound A
Applications (S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioate is an impurity in the synthesis of Escitalopram (C505010), an inhibitor of serotonin (5-HT) uptake. Antidepressant.
References Christensen, A.V., et al.: Eur. J. Pharmacol., 41, 153 (1977), Keller, M.B., et al.: J. Clin. Psychiatry, 61, 896 (2000), Von Moltke, L.L., et al.: Drug Metab. Dispos., 29, 1102 (2001),

• Brand: TRC

Chemical properties

• Molecular weight: 1071.18
• Formula: C₆₀H₆₄F₂N₄O₁₂
• Color/Form: Neat
• InChI: 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, 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, 3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t2*20-, 15-,16-/m000/s1
• SMILES: CN(C)CCC[C@](O)(c1ccc(F)cc1)c1ccc(C#N)cc1CO.Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1