64228-84-8 (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-,(R,R)-N,N'-Didemethyl Atracurium)

结构式：

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-MOL文件

CAS号：

64228-84-8

中文名称：

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-

英文名称：

(R,R)-N,N'-Didemethyl Atracurium

分子式：

C₅₁H₆₆N₂O₁₂

分子量：

899.075955867767

API：

Cisatracurium

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-(64228-84-8)名称与标识符

名称

中文别名：

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-;

英文别名：

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;ISO010;;ZZV7VAV7QX;2,2'-(1,5-Pentanediyl) bis[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinepropanoate];DTXSID20708213;UNII-ZZV7VAV7QX;Pentane-1,5-diyl bis{3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]propanoate};CISATRACURIUM BESILATE IMPURITY R [EP IMPURITY];Atracurium Besylate EP impurity B;64228-84-8;2,2'-(1,5-Pentanediyl) bis((1R)-1-((3,4-dimethoxyphenyl)methyl)-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinepropanoate);PENTANE-1,5-DIYL BIS(3-((1R)-1-((3,4-DIMETHOXYPHENYL)METHYL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLIN-2(1H)-YL)PROPANOATE);2(1H)-ISOQUINOLINEPROPANOIC ACID,1-[(3,4-DIMETHOXYPHENYL)METHYL]-3,4-DIHYDRO-6,7-DIMETHOXY-, 1,5-PENTANEDIYL ESTER, (R*,R*)-(-)-, ETHANEDIOATE;2(1H)-Isoquinolinepropanoic acid, 1-((3,4-dimethoxyphenyl)methyl)-3,4-dihydro-6,7-dimethoxy-, 2,2'-(1,5-pentanediyl) ester, (1R,1'R)-;(R,R)-N,N'-Didemethyl atracurium;SCHEMBL2797941;

标识符

InChIKey：

KFNBBSMQNSQPPJ-GYOJGHLZSA-N

Inchi：

1S/C51H66N2O12/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/h12-15,28-33,40-41H,9-11,16-27H2,1-8H3/t40-,41-/m1/s1

SMILES：

O(C)C1C(=CC2CCN(CCC(=O)OCCCCCOC(CCN3CCC4C=C(C(=CC=4[C@H]3CC3C=CC(=C(C=3)OC)OC)OC)OC)=O)[C@H](CC3C=CC(=C(C=3)OC)OC)C=2C=1)OC

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-(64228-84-8)物化性质

实验特性

LogP : 6.80770
PSA : 207.52000

计算特性

精确分子量 : 988.45700
氢键供体数量 : 0
氢键受体数量 : 14
可旋转化学键数量 : 26
同位素质量 : 898.46157554Da
重原子数量 : 65
复杂度 : 1290
同位素原子数量 : 0
确定原子立构中心数量 : 2
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 7.8
拓扑分子极性表面积 : 133Å²

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-(64228-84-8)推荐厂家更多厂家(2)

公司名称	手机号/电话	联系人	QQ	微信	询单
深圳菲斯生物科技有限公司	18925202235	周美娇	2850179284		询单

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-(64228-84-8)合成路线

合成路线：1 步

反应条件：

1.1 Reagents: Ammonia Solvents: Water ; rt
1.2 Solvents: Acetic acid ; 4 h, 70 °C
1.3 Solvents: Acetone

参考文献：

Process for preparation of atracurium besylate with improved isomeric ratio

Anonymous, IP.com Journal, 2009, ,

合成路线：1 步

反应条件：

1.1 Reagents: Ammonia Solvents: Water ; 30 min, rt
1.2 Reagents: Benzenesulfonic acid ; 4 h, 50 - 55 °C
1.3 Solvents: Dichloromethane ; 6 h, reflux
1.4 Reagents: Ammonia Solvents: Water ; basified
1.5 Solvents: Acetone ; 30 min, rt

参考文献：

Preparation of cisatracurium besylate intermediate

, China, , ,

合成路线：1 步

反应条件：

1.1 Reagents: Ammonia Solvents: Water ; pH 9 - 10
1.2 Solvents: Toluene ; 48 h, 80 °C
1.3 Solvents: Ethanol

参考文献：

Method for purifying Cisatracurium besylate

, China, , ,

合成路线：1 步

64228-84-8

144-62-7

参考文献：

Novel process for the preparation of cisatracurium besylate

, India, , ,

合成路线：1 步

64228-84-8

144-62-7

参考文献：

Preparation of an antracurium stereoisomer

, World Intellectual Property Organization, , ,

合成路线：1 步

64228-84-8

144-62-7

参考文献：

Biodegradable neuromuscular blocking agents. Part 6. Stereochemical studies on atracurium and related polyalkylene di-esters

Stenlake, John B.; Waigh, Roger D.; Dewar, George H.; Dhar, Nirmal C.; Hughes, Roy; et al, European Journal of Medicinal Chemistry, 1984, 19(5), 441-50

合成路线：1 步

反应条件：

1.1 Solvents: Water ; rt
1.2 Reagents: Ammonium hydroxide Solvents: Water ; rt
1.3 Solvents: Dichloromethane ; rt
1.4 Solvents: Isopropanol ; rt
1.5 Reagents: N-Acetyl-D-leucine ; rt → reflux; 30 min, reflux; reflux → rt; overnight, rt
1.6 Solvents: Water ; rt
1.7 Reagents: Ammonium hydroxide Solvents: Water ; rt
1.8 Solvents: Dichloromethane ; rt
1.9 Solvents: Acetic acid ; rt → 75 °C; 5 - 6 h, 70 - 75 °C
1.10 Solvents: Toluene ; 70 - 75 °C
1.11 30 min, 70 - 75 °C; 70 °C → rt
1.12 Solvents: Acetone ; rt → 2 °C
1.13 Solvents: Acetone ; overnight, 2 - 8 °C

参考文献：

Novel process for the preparation of cisatracurium besylate

, World Intellectual Property Organization, , ,

81246-81-3(5'-O-[二(4-甲氧基苯基)苯基甲基]-3'-O-[(叔丁基)二甲基硅烷基]尿苷) 80791-88-4(3'-甲氧基-2-氨基腺苷) 80808-96-4(1,5-二甲基-3,7-二氮杂双环3.3.1壬-9-酮) 80912-60-3(4-(1,3-苯并二氧代l-5-基)-1-环己酮) 80959-18-8(2,5-DICHLOROBENZALDEHYDE) 811842-57-6(2'-(Trifluoromethyl)-4-biphenylamine hydrochloride (1:1)) 799262-09-2(4-羟基-5-氟-2H-色烯-2-酮) 79944-65-3(1-Chloro-3-(chloromethyl)-5-fluorobenzene)

960化工网为您提供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-专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.64228-84-8,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:64228-84-8 国际站:64228-84-8

64228-84-8 (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-,(R,R)-N,N'-Didemethyl Atracurium)

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-(64228-84-8)名称与标识符

名称

标识符

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-(64228-84-8)物化性质

实验特性

计算特性

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-(64228-84-8)推荐厂家 更多厂家(2)

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-(64228-84-8)合成路线

目录

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-(64228-84-8)推荐厂家更多厂家(2)