CAS: 128173-53-5 - (-)-4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybuty)-3-hydroxymethyl)-benzonitrile hemi D-(+)-di-p-toloyltartaric acid salt

Formula: C₆₀H₆₄F₂N₄O₁₂

InChI: InChI=1S/C20H23FN2O2.C20H18O8/c1-23(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/h4-9,12,24-25H,3,10-11,14H2,1-2H3;3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t20-;15-,16-/m00/s1

InChI key: InChIKey=IRRGXFHCQREYSA-PYSKRNCFSA-N

SMILES: N#CC1=CC=C(C(=C1)CO)C(O)(C2=CC=C(F)C=C2)CCCN(C)C.O=C(O)C(OC(=O)C1=CC=C(C=C1)C)C(OC(=O)C2=CC=C(C=C2)C)C(=O)O

Synonyms:

• (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 Di-p-toluoyl-D-tartrate Salt (2:1)
• (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)

Escitalopram Related Compound A ((S)-4-[4-dimethylamino-1-(4-fluoropheny)-1-hydroxy-1-butyl]-3-hydroxymethylbenzonitrile hemi(+)-di-toluoyltartrate)

CAS: 128173-53-5

Nitrile function compounds, not elsewhere specified or

• Formula: C₂₀H₂₃FN₂O₂C₂₀H₁₈O₈
• Color and Shape: Powder
• Molecular weight: 342.17436

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)

CAS: 128173-53-5

• Formula: C₄₀H₄₁FN₂O₁₀
• Color and Shape: Solid
• Molecular weight: 728.7593

Escitalopram USP Related Compound A

CAS: 128173-53-5

• Formula: C₂₀H₂₃FN₂O₂C₂₀H₁₈O₈
• Molecular weight: 342.42 0.5*386.36

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

CAS: 128173-53-5

• Formula: C₆₀H₆₄F₂N₄O₁₂
• Color and Shape: Neat
• Molecular weight: 1071.18

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

CAS: 128173-53-5

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 …

• Formula: C₆₀H₆₄F₂N₄O₁₂
• Color and Shape: Neat
• Molecular weight: 1071.18

(-)-(4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybutyl)-3-hydroxymethyl)-benzonitrile hemi D-(+)-di-p-toloyltartaric acid salt

CAS: 128173-53-5

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• Formula: C₆₀H₆₄F₂N₄O₁₂
• Purity: Min. 95%
• Color and Shape: White Off-White Powder
• Molecular weight: 1,071.17 g/mol