- Biodegradable neuromuscular blocking agents. Part 6. Stereochemical studies on atracurium and related polyalkylene di-estersStenlake, 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
Cas no 64228-84-8 ((R,R)-N,N'-Didemethyl Atracurium)
64228-84-8 structure
Product Name:(R,R)-N,N'-Didemethyl Atracurium
CAS No:64228-84-8
MF:C51H66N2O12
MW:899.075955867767
CID:3048468
PubChem ID:53992007
Update Time:2025-07-01
(R,R)-N,N'-Didemethyl Atracurium Chemical and Physical Properties
Names and Identifiers
-
- 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
- (R,R)-N,N'-Didemethyl Atracurium
-
- 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
- InChI Key： KFNBBSMQNSQPPJ-GYOJGHLZSA-N
- 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
Computed Properties
- Exact Mass: 988.45700
- Monoisotopic Mass: 898.46157554Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 65
- Rotatable Bond Count: 26
- Complexity: 1290
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.8
- Topological Polar Surface Area: 133?2
Experimental Properties
- PSA: 207.52000
- LogP: 6.80770
(R,R)-N,N'-Didemethyl Atracurium Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D439496-1mg |
(R,R)-N,N'-Didemethyl Atracurium |
64228-84-8 | 1mg |
$190.00 | 2023-05-18 | ||
| TRC | D439496-10mg |
(R,R)-N,N'-Didemethyl Atracurium |
64228-84-8 | 10mg |
$1499.00 | 2023-05-18 | ||
| TRC | D439496-5mg |
(R,R)-N,N'-Didemethyl Atracurium |
64228-84-8 | 5mg |
$173.00 | 2023-05-18 | ||
| TRC | D439496-25mg |
(R,R)-N,N'-Didemethyl Atracurium |
64228-84-8 | 25mg |
$ 800.00 | 2023-09-07 | ||
| TRC | D439496-50mg |
(R,R)-N,N'-Didemethyl Atracurium |
64228-84-8 | 50mg |
$1378.00 | 2023-05-18 |
(R,R)-N,N'-Didemethyl Atracurium Production Method
Production Method 1
Reaction Conditions
Reference
Production Method 2
Reaction Conditions
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
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
Reference
- Novel process for the preparation of cisatracurium besylate, World Intellectual Property Organization, , ,
Production Method 3
Reaction Conditions
1.1 Reagents: Ammonia Solvents: Water ; rt
1.2 Solvents: Acetic acid ; 4 h, 70 °C
1.3 Solvents: Acetone
1.2 Solvents: Acetic acid ; 4 h, 70 °C
1.3 Solvents: Acetone
Reference
- Process for preparation of atracurium besylate with improved isomeric ratioAnonymous, IP.com Journal, 2009, ,
Production Method 4
Reaction Conditions
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
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
Reference
- Preparation of cisatracurium besylate intermediate, China, , ,
Production Method 5
Reaction Conditions
1.1 Reagents: Ammonia Solvents: Water ; pH 9 - 10
1.2 Solvents: Toluene ; 48 h, 80 °C
1.3 Solvents: Ethanol
1.2 Solvents: Toluene ; 48 h, 80 °C
1.3 Solvents: Ethanol
Reference
- Method for purifying Cisatracurium besylate, China, , ,
Production Method 6
Reaction Conditions
Reference
- Novel process for the preparation of cisatracurium besylate, India, , ,
Production Method 7
Reaction Conditions
Reference
- Preparation of an antracurium stereoisomer, World Intellectual Property Organization, , ,
(R,R)-N,N'-Didemethyl Atracurium Raw materials
- (R)-1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
- N-Acetyl-L-(-)-leucine
- pentane-1,5-diol
- 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
- Oxalic acid
- (R)-tert-butyl Butyrate Norlaudanosine
- 1,5-Pentanediol Diacrylate (Stabilized with Hydroquinone)
(R,R)-N,N'-Didemethyl Atracurium Preparation Products
(R,R)-N,N'-Didemethyl Atracurium Related Literature
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
2. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
5. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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