2(1H)-Isoquinolinepropanoic acid,1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-,1,5-pentanediyl ester, ethanedioate (1:2)（CAS番号：64228-78-0）

2(1H)-Isoquinolinepropanoic acid,1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-,1,5-pentanediyl ester, ethanedioate (1:2)

基本情報

編集器で閲覧

CAS番号

64228-78-0

分子式

C55H70N2O20

分子量

1079.1 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複素環化合物

医薬化学品医薬中間体複素環中間体

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

実験室化学品研究用化学品生化学試薬

基本的な物理特性

物理状態

Powder

SMILES

編集器で閲覧

COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CCC(=O)OCCCCCOC(=O)CCN4CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)OC)OC)OC.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C51H66N2O12.2C2H2O4/c1-56-42-14-12-34(28-44(42)58-3)26-40-38-32-48(62-7)46(60-5)30-36(38)16-20-52(40)22-18-50(54)64-24-10-9-11-25-65-51(55)19-23-53-21-17-37-31-47(61-6)49(63-8)33-39(37)41(53)27-35-13-15-43(57-2)45(29-35)59-4;2*3-1(4)2(5)6/h12-15,28-33,40-41H,9-11,16-27H2,1-8H3;2*(H,3,4)(H,5,6)

InChIKey

NGJVDNJEQWIMBU-UHFFFAOYSA-N

LogP

6.087500000000006

トポロジカル極性表面積

282.12 Å²

水素結合ドナー/アクセプター

4 / 22

複雑度

1370

同義語と引用データ

英語

Atracurium dioxalate
EINECS 264-741-3
5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoate;oxalic acid
AKOS015951366
BCP22907
FT-0655115
AS-75189
Pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate] dioxalate
B0371-336184
Pentamethylene bis(1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate), dioxalate
pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate], dioxalate;Pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate] dioxalate
64228-78-0
pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate], dioxalate
CisAtracurium Oxalate
AC-24188
DTXSID30867062
FT-0694090
5-[(3-{1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}propanoyl)oxy]pentyl 3-{1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}propanoate; bis(oxalic acid)
Atracuriumdioxalate
Pentane-1,5-diyl bis(3-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoate) dioxalate
cis-Atracurium oxalate pound>>Atracurium Besylate EP impurity B;(R,R)-N,N inverted exclamation mark -Didemethyl Atracurium Oxalate;Atracurium dioxalate
Atracurium oxalate
1R,1R'-2,2'-[1,5-pentanediylbis[oxy(3-oxo-3,1-propanediyl)]]bis[1-[(3,4-dimethoxyphenyl) methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinolinium] dioxalate
R-atracurium dioxalate