(S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile Di-p-toluoyl-D-tartrate Salt (2:1)（CAS番号：128173-53-5）

(S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile Di-p-toluoyl-D-tartrate Salt (2:1)

基本情報

編集器で閲覧

CAS番号

128173-53-5

分子式

C60H64F2N4O12

分子量

1071.2 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品エステル類

基礎化学原料有機化学品エーテル類

基礎化学原料有機化学品ニトリル類

精密化学品染料および顔料有機染料

精密化学品界面活性剤アニオン性界面活性剤

精密化学品特殊化学品紫外線安定剤

農業化学品農薬除草剤

基本的な物理特性

融点

134-135 ºC

SMILES

編集器で閲覧

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

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

InChIKey

XADVDTANOZJZTP-XZWFXUMZSA-N

LogP

7.75836

複雑度

989

同義語と引用データ

英語

(S)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile Di-p-tolu
(2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;4-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile
Q27272798
DTXSID70704881
AC-6936
UNII-9NTH34FQ9R
4-(4-Dimethylamino)-1-(4-Fluorophenyl)-1-(hydroxy-buty)-3-hydroxymethyl)-benzonitrile hemi d-(+)-di-p-toloyltartaric acid salt
J-513493
(2S,3S)-2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--4-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile (1/2)
(-)-4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybuty)-3-hydroxymethyl)-benzonitrile hemi D-(+)-di-p-toloyltartaric acid salt
Citadiol hemi-bis-4-toluoyl-D-tartrate, (S)-
128173-53-5
(-)-4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybuty)-3-hydroxymethyl)-benzonitrile,hemi D-(+)-di-p-toloyltartaric acid salt
Citadiol hemidtta, (S,S,S)-
(S)-citadiol hemi-bis-4-toluoyl-D-tartrate
AKOS025402256
9NTH34FQ9R
4-[(1S)-4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile Hemi-(+)-di-p-toluoyltartrate
(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...
(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
(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-hydroxymethylbenzonitrile hemi(+)-di-toluoyltartrate
Escitalopram OxalateD-DTTA
EscitalopraM Related CoMpound A
Escitalopram USP Related Compound A
4-{4-(Dimethylamino)-[(4'-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)}benzonitrile
(-)-4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybutyl)-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
Escitalopram Related Compound A (10 mg) ((-) 4-[(4-dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybutyl)]-3-(hydroxymethyl) benzonitrile)