4-{4-(Dimethylamino)-[(4''-Fluorophenyl)-1-Hydroxybutyl]-3-(Hydroxymethyl)}Benzonitrile
Get a Quick Quote Now
Select Packaging
Product Description
Product
4-{4-(Dimethylamino)-[(4''-Fluorophenyl)-1-Hydroxybutyl]-3-(Hydroxymethyl)}Benzonitrile
CAS
128173-53-5
Formula
2C20H23FN2O2.C20H18O8
Synonym
(-)-4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybuty)-3-hydroxymethyl)-benzonitrile hemi D-(+)-di-p-toloyltartaric acid salt; (+)-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; (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); 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); Citadiol hemi-bis-4-toluoyl-D-tartrate, (S)-; Citadiol hemidtta, (S,S,S)-; EscitalopraM Related CoMpound A; Escitalopram Related Compound A (10 mg) ((-) 4-[(4-dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybutyl)]-3-(hydroxymethyl) benzonitrile); Escitalopram USP Related Compound A; UNII-9NTH34FQ9R
Typical Product Specifications
Molecular weight
1,071.18
SMILES
CN(C)CCC[C@](O)(c1ccc(F)cc1)c2ccc(cc2CO)C#N.CN(C)CCC[C@](O)(c3ccc(F)cc3)c4ccc(cc4CO)C#N.Cc5ccc(cc5)C(=O)O[C@@H]([C@H](OC(=O)c6ccc(C)cc6)C(=O)O)C(=O)O
InChI
XADVDTANOZJZTP-XZWFXUMZSA-N
InChIKey
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;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;3-10,15-16H,1-2H3,(H,21,22)(H,23,
Class
4-{4-(Dimethylamino)-[(4''-Fluorophenyl)-1-Hydroxybutyl]-3-(Hydroxymethyl)}Benzonitrile
Product Description
Product
4-{4-(Dimethylamino)-[(4''-Fluorophenyl)-1-Hydroxybutyl]-3-(Hydroxymethyl)}Benzonitrile
CAS
128173-53-5
Formula
2C20H23FN2O2.C20H18O8
Synonym
(-)-4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybuty)-3-hydroxymethyl)-benzonitrile hemi D-(+)-di-p-toloyltartaric acid salt; (+)-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; (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); 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); Citadiol hemi-bis-4-toluoyl-D-tartrate, (S)-; Citadiol hemidtta, (S,S,S)-; EscitalopraM Related CoMpound A; Escitalopram Related Compound A (10 mg) ((-) 4-[(4-dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybutyl)]-3-(hydroxymethyl) benzonitrile); Escitalopram USP Related Compound A; UNII-9NTH34FQ9R
Typical Product Specifications
Molecular weight
1,071.18
SMILES
CN(C)CCC[C@](O)(c1ccc(F)cc1)c2ccc(cc2CO)C#N.CN(C)CCC[C@](O)(c3ccc(F)cc3)c4ccc(cc4CO)C#N.Cc5ccc(cc5)C(=O)O[C@@H]([C@H](OC(=O)c6ccc(C)cc6)C(=O)O)C(=O)O
InChI
XADVDTANOZJZTP-XZWFXUMZSA-N
InChIKey
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;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;3-10,15-16H,1-2H3,(H,21,22)(H,23,
Class
