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Cas Database

Name	Atracurium besylate	EINECS	264-743-4
CAS No.	64228-81-5	Density	N/A
PSA	257.60000	LogP	11.32610
Solubility	H₂O: ~27 mg/mL	Melting Point	85-90 °C
Formula	C₅₃H₇₂N₂O₁₂^.2(C₆H₅O₃S)	Boiling Point	N/A
Molecular Weight	1243.5	Flash Point	N/A
Transport Information	N/A	Appearance	White to yellowish-white powder
Safety	24/25	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
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;	Article Data	4

Atracurium besylate 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

Conditions	Yield
In acetonitrile for 48h; Ambient temperature;	85%

: 93-40-3
(3,4-Dimethoxyphenyl)acetic acid

: 64228-81-5
atracurium besylate

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
Purification / work up; Resolution of racemate;

Atracurium besylate Chemical Properties

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

Atracurium besylate Uses

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

Atracurium besylate Safety Profile

WGK Germany: 3

Atracurium besylate 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.

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