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Basic Information
CAS No.: 64228-81-5
Name: Atracurium besylate
Article Data: 4
Molecular Structure:
Molecular Structure of 64228-81-5 (Atracurium besylate)
Formula: C53H72N2O12.2(C6H5O3S)
Molecular Weight: 1243.5
Synonyms: Tracrium;Atracurii besilas [INN-Latin];Atracurium Besilate injection;Besilate datracurium [INN-French];Isoquinolinium, 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-methyl-, dibenzenesulfonate;Atracurium besilate;Track detectorsTracrium;BW 33A;Tracrium (TN);Besilato de atracurio [INN-Spanish];Atracurium besylate (USP);Atracurii besilas;Atracurium besy;
EINECS: 264-743-4
Melting Point: 85-90 °C
Solubility: H2O: ~27 mg/mL
Appearance: White to yellowish-white powder
Safety: 24/25
PSA: 257.60000
LogP: 11.32610
Synthetic route
64228-78-0, 64493-10-3, 83285-74-9, 96687-52-4, 96687-53-5, 110817-20-4

pentamethylene bis(1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate) dioxalate

80-18-2

Methyl benzenesulfonate

64228-81-5

atracurium besylate

Conditions
ConditionsYield
In acetonitrile for 48h; Ambient temperature;85%
93-40-3

(3,4-Dimethoxyphenyl)acetic acid

64228-81-5

atracurium besylate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 92 percent / 2 h / 190 - 210 °C
2: phosphoryl chloride / toluene / 3 h / Heating
3: 71 percent / sodium borohydride / 19 h / Ambient temperature
4: 51 percent / benzene / 48 h / Heating
5: 85 percent / acetonitrile / 48 h / Ambient temperature
View Scheme
139-76-4

N-(3,4-dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)acetamide

64228-81-5

atracurium besylate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: phosphoryl chloride / toluene / 3 h / Heating
2: 71 percent / sodium borohydride / 19 h / Ambient temperature
3: 51 percent / benzene / 48 h / Heating
4: 85 percent / acetonitrile / 48 h / Ambient temperature
View Scheme
6957-27-3

3,4-dihydropapaverine

64228-81-5

atracurium besylate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 71 percent / sodium borohydride / 19 h / Ambient temperature
2: 51 percent / benzene / 48 h / Heating
3: 85 percent / acetonitrile / 48 h / Ambient temperature
View Scheme
6429-04-5

1,2,3,4-tetrahydro-1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloride

64228-81-5

atracurium besylate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 51 percent / benzene / 48 h / Heating
2: 85 percent / acetonitrile / 48 h / Ambient temperature
View Scheme
120-20-7

2-(3,4-dimethoxyphenyl)-ethylamine

palladium/barium sulfate

palladium/barium sulfate

64228-81-5

atracurium besylate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 92 percent / 2 h / 190 - 210 °C
2: phosphoryl chloride / toluene / 3 h / Heating
3: 71 percent / sodium borohydride / 19 h / Ambient temperature
4: 51 percent / benzene / 48 h / Heating
5: 85 percent / acetonitrile / 48 h / Ambient temperature
View Scheme
64228-81-5

atracurium besylate

A

cisatracurium besilate

B

(1R-trans,1'R-trans)-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 dibenzenesulfonate

C

(1R-cis,1'R-trans)-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-methyl]-isoquinolinium dibenzenesulfonate

Conditions
ConditionsYield
Purification / work up; Resolution of racemate;
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Chemistry

Molecular structure of Atracurium besylate (CAS NO.64228-81-5) is:

Product Name: Atracurium besylate
CAS Registry Number: 64228-81-5
IUPAC Name: benzenesulfonate ; 5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
Molecular Weight: 1243.47918 [g/mol]
Molecular Formula: C65H82N2O18S2
H-Bond Donor: 0
H-Bond Acceptor: 18 
EINECS: 264-743-4
Melting Point: 85-90 °C
Storage temp.: 2-8 °C
Solubility: H2O: ~27 mg/mL
Product Categories: Pharmaceutical material and intermeidates;Active Pharmaceutical Ingredients;Neuromuscular Blocking Agent;Aromatics;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals;Acetylcholine receptor

Uses

 Atracurium besylate (CAS NO.64228-81-5) can be used as a neuromuscular blocking agent.

Safety Profile

WGK Germany: 3

Specification

 Atracurium besylate , its cas register number is 64228-81-5. It also can be called 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-methyl-isoquinolinium dibenzenesulfonate ; Tracrium ; Atracurium besylate [USAN:BAN] ; 2-(2-Carboxyethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinolinium benzenesulfonate, pentamethylene ester ; Atracurii besilas ; Atracurii besilas [INN-Latin] ; Isoquinolinium, 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-methyl-, dibenzenesulfonate ; Pentamethylen bis(3-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-(3,4-dimethoxybenzyl)-2-methyl-2-isochinolyl)propionat) bis(benzolsulfonat) .It is a white to yellowish-white powder, slightly hygroscopic.