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

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

 EINECS N/A
CAS No. 128173-53-5 Density N/A
PSA 262.18000 LogP 7.75836
Solubility N/A Melting Point 134-135 °C
Formula 2(C20H23FN2O2).C20H18O8 Boiling Point N/A
Molecular Weight 535.592 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 128173-53-5 ((-)-4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybuty)-3-hydroxymethyl)-benzonitrile hemi D-(+)-di-p-toloyltartaric acid salt) Hazard Symbols N/A
Synonyms

(-)-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-(hydroxymethyl)benzonitrile (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioate (2:1);(-)-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;EscitalopraM Related CoMpound A

Article Data 17

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

The (-)-4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybuty)-3-hydroxymethyl)-benzonitrile hemi D-(+)-di-p-toloyltartaric acid salt, with CAS registry number 128173-53-5, has the systematic name of (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid; 4-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxy-butyl]-3-(hydroxymethyl)benzonitrile. And the chemical formula of this chemical is 2(C20H23FN2O2).C20H18O8.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)c2ccc(cc2)C)C(=O)O.CN(C)CCC[C@](c1ccc(cc1)F)(c2ccc(cc2CO)C#N)O.CN(C)CCC[C@](c1ccc(cc1)F)(c2ccc(cc2CO)C#N)O
(2)InChI: InChI=1/2C20H23FN2O2.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,23,24)/t2*20-;15-,16-/m000/s1
(3)InChIKey: XADVDTANOZJZTP-XZWFXUMZBE
(4)Std. InChI: InChI=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,23,24)/t2*20-;15-,16-/m000/s1
(5)Std. InChIKey: XADVDTANOZJZTP-XZWFXUMZSA-N

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