ChemicalBook--->CAS DataBase List--->128173-53-5

128173-53-5

128173-53-5 Structure

128173-53-5 Structure
IdentificationBack Directory
[Name]

(-)-4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybuty)-3-hydroxymethyl)-benzonitrile hemi D-(+)-di-p-toloyltartaric acid salt
[CAS]

128173-53-5
[Synonyms]

Escitalopram OxalateD-DTTA
EscitalopraM Related CoMpound A
Escitalopram USP Related Compound A
Escitalopram Related Compound A D-DTTA Salt
Escitalopram Related Compound A as Hemi-di-toluoyltartrate
Escitalopram USP Related Compound A as Hemi-di-toluoyltartrate
(-)-4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybuty)-3...
Escitalopram Oxalate Impurity E as (S)-Enantiomer Ditoluoyltartrate
Escitalopram Oxalate EP Impurity E as (S)-Enantiomer Ditoluoyltartrate
4-{4-(Dimethylamino)-[(4'-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)}benzonitrile
(-)-4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybuty)-3-hydroxymethyl)-benzonitrilehemiD-(+)-
4-[(4-Dimethylamino)-1-(4-fluorophenyl)-1-Hydroxybutyl]-3-(hydroxymethyl)-benzonitile-D-hemi tartari
4-((S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile D-DTTA salt
Escitalopram Related Compound A ((S)-4-[4-dimethylamino-1-(4-fluoropheny)-1-hydroxy-1-butyl]-3-hydr (1249417)
4-[(4-Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile D-hemi tartaricacid salt
(-)-4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybuty)-3-hydroxymethyl)-benzonitrile hemi D-(+)-di-p-toloyltartaric acid salt
(-)-4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybuty)-3-hydroxymethyl)-benzonitrile hemi D-(+)-di-p-toloyltartaric acid salt
(-)-4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybutyl)-3-hydroxymethyl)-benzonitrile hemi D-(+)-di-p-toloyltartaric acid salt
(+)-4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybuty)-3-hydroxymethyl)-benzonitrile hemi D-(-)-di-p-toloyltartaric acid salt
Escitalopram Related Compound A (10 mg) ((-) 4-[(4-dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybutyl)]-3-(hydroxymethyl) benzonitrile)
(+)-Dipara tolouyl–d-tartaric acid salt of 4-[(4'-DiMethyl aMino)-1-(4"-fluorophenyl)-1-hydroxy butyl]-3-(hydroxy Methyl) benzonitrile
(S)-4-[4-(DiMethylaMino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxyMethyl)-benzonitrile (2S,3S)-2,3-bis[(4-Methylbenzoyl)oxy]butanedioate
(2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid,4-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile
(S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioate (2:1)
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)
[Molecular Formula]

2C20H23FN2O2.C20H18O8
[MDL Number]

MFCD11865143
[MOL File]

128173-53-5.mol
[Molecular Weight]

1071.18
Chemical PropertiesBack Directory
[Melting point ]

134-135 °C
[storage temp. ]

2-30°C
[Major Application]

pharmaceutical (small molecule)
[InChIKey]

XADVDTANOZJZTP-XZWFXUMZSA-N
[SMILES]

Fc5ccc(cc5)[C@@](O)(CCCN(C)C)c6c(cc(cc6)C#N)CO.Fc3ccc(cc3)[C@@](O)(CCCN(C)C)c4c(cc(cc4)C#N)CO.O([C@@H]([C@H](OC(=O)c2ccc(cc2)C)C(=O)O)C(=O)O)C(=O)c1ccc(cc1)C
Safety DataBack Directory
[WGK Germany ]

WGK 3
[REACH Registrations]

Active
[HS Code ]

2926900005
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

(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.
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