(R)-Pentane-1,5-diyl bis(3-((R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoate) dioxalate（CAS番号：96687-52-4）

(R)-Pentane-1,5-diyl bis(3-((R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoate) dioxalate

基本情報

編集器で閲覧

CAS番号

96687-52-4

分子式

C55H70N2O20

分子量

1079.16 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

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)/t40-,41-;;/m1../s1

InChIKey

NGJVDNJEQWIMBU-DBGKOQSZSA-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

安全情報

安全情報を表示

GHS危険象形図

H302

危険性の表示

H302 飲み込むと有害
急性毒性（経口）

同義語と引用データ

英語

(1R,1'R)-2,2'-(3,11-Dioxo-4,10-dioxatridecamethylene)-bis-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratrylisoquindline)-dioxalate
(R*,R*)-(-)-1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinepropanoic acid 1,5-pentanediyl ester ethanedioate (1:2)
(1R,1’R)-ATRACURIUM DIOXALATE
(1R,1'R)-2,2'-(3,11-dioxatridecamethylene)-bis-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratrylisoquinoline)dioxalate(Cisatracurium oxalate)
(1R,1'R)-2,2'-(3,11-Dioxo-4,10-dioxatridecamethylene)-bis-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-veratrylisoquindline)-diox
5-[3-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propa
Cis Atracurium dioxalate
CisAtracurium Oxalate
5-[3-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoate,oxalic acid
R-atracurium dioxalate
2(1H)-Isoquinolinepropanoic acid, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-, 1,5-pentanediyl ester, (R*,R*)-(-)-, ethanedioate (1:2) (9CI)
pentane-1,5-diyl bis(3-((R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoate)
dioxalate (1:2)
SCHEMBL8949609
Atracurium dioxalate
5-({3-[(1R)-1-[(3,4-DIMETHOXYPHENYL)METHYL]-6,7-DIMETHOXY-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL]PROPANOYL}OXY)PENTYL 3-[(1R)-1-[(3,4-DIMETHOXYPHENYL)METHYL]-6,7-DIMETHOXY-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL]PROPANOATE; BIS(OXALIC ACID)
96687-52-4
WDA68752
Q-101019
F15234
(R)-Pentane-1,5-diylbis(3-((R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoate)dioxalate
(R)-Pentane-1,5-diyl bis(3-((R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoate) dioxalate
5-[3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoate;oxalic acid
CS-0186139
BS-50869
Atracurium Besylate EP impurity B (Oxalate Salt)