Chemical Compound

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 Registry Number 128173-53-5
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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) 结构式
Primary record

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)

库存
747 克
纯度
99.8 %
CAS
128173-53-5

化合物标识与属性

CAS
128173-53-5
PubChem CID
53486276
SMILES
CC1=CC=C(C=C1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O.CN(C)CCC[C@](C1=CC=C(C=C1)F)(C2=C(C=C(C=C2)C#N)CO)O.CN(C)CCC[C@](C1=CC=C(C=C1)F)(C2=C(C=C(C=C2)C#N)CO)O
Canonical SMILES
CN(C)CCC[C@](O)(c1ccc(F)cc1)c1ccc(C#N)cc1CO.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

名称与同义词

  • UNII-9NTH34FQ9R
  • 128173-53-5
  • 9NTH34FQ9R
  • escitalopram related compound a
  • Citadiol hemidtta, (S,S,S)-
  • Escitalopram intermediate
  • Citadiol hemi-bis-4-toluoyl-D-tartrate, (S)-
  • DTXSID70704881
  • escitalopram usp related compound a
  • Escitalopram USP Related Compound A
  • AKOS025402256
  • AC-6936
  • AN-9492
  • (S)-citadiol hemi-bis-4-toluoyl-D-tartrate
  • Escitalopram Related Compound A D-DTTA Salt
  • G15794
  • ESCITALOPRAM RELATED COMPOUND A [USP-RS]
  • (-)-4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybuty)-3-hydroxymethyl)-benzonitrile hemi D-(+)-di-p-toloyltartaric acid salt
  • Q27272798
  • 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)
  • (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 Di-p-tolu
  • 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)
  • (-)-4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybuty)-3-hy droxymethyl)-benzonitrile hemi D-(+)-di-p-toloyltartaric acid salt
  • 4-[(1S)-4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile Hemi-(+)-di-p-toluoyltartrate
  • 4-{4-(Dimethylamino)-[(4''-Fluorophenyl)-1-Hydroxybutyl]-3-(Hydroxymethyl)}Benzonitrile
  • (-)-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
  • (1S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile hemi-(+)-di(p-toluoyl)tartrate
  • (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid,4-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile
  • (2S,3S)-2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--4-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile (1/2)
  • (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid; 4-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxy-butyl]-3-(hydroxymethyl)benzonitrile
  • (S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile hemi((2S,3S)-2,3-bis((4-methylbenzoyl)oxy)succinate)
  • (S)-4-(4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile, (2S,3S)-2,3-bis((4-methylbenzoyl)oxy)succinic acid (2:1)
  • (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)