Chemical Compound

RefChem:408036

CAS Registry Number 128173-53-5
RefChem:408036 chemical structure
Primary Record

RefChem:408036

In stock
747 g
Purity
99.8 %
CAS
128173-53-5

Compound Identifiers & Properties

CAS
128173-53-5
PubChem CID
74763977
SMILES
CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O.CN(C)CCCC(C1=CC=C(C=C1)F)(C2=C(C=C(C=C2)C#N)CO)O.CN(C)CCCC(C1=CC=C(C=C1)F)(C2=C(C=C(C=C2)C#N)CO)O
Canonical SMILES
CN(C)CCCC(O)(c1ccc(F)cc1)c1ccc(C#N)cc1CO.CN(C)CCCC(O)(c1ccc(F)cc1)c1ccc(C#N)cc1CO.Cc1ccc(C(=O)OC(C(=O)O)C(OC(=O)c2ccc(C)cc2)C(=O)O)cc1

Names & Synonyms

  • RefChem:408036
  • escitalopram related compound a
  • BCP17261
  • Citadiol hemi-bis-4-toluoyl-D-tartrate, (S)-
  • 128173-53-5
  • FT-0772778
  • (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-hydroxymethylbenzonitrile hemi(+)-di-toluoyltartrate
  • (-)-4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybuty)-3-hydroxymethyl)-benzonitrile hemi D-(+)-di-p-toloyltartaric acid salt
  • (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-hydroxymethylbenzonitrile hemi(+)-di-toluoyltartrate
  • (S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile Di-p-toluoyl-D-tartrate Salt (2:1)
  • 4-[(1S)-4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile Hemi-(+)-di-p-toluoyltartrate
  • 603-261-4
  • 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