Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Others  /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Pharmaceuticals and Biochemicals  /  Organic Intermediates
Atracurium besylate structure
Atracurium besylate structure

Atracurium besylate

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]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
CAS No.:64228-81-5
Molecular Weight:1243.487
Introduction: Atracurium besylate, 2-(2-carboxyethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinolinium benzenesulfonate pentamethyleneester (Tracrium), is a nondepolarizing neuromuscular blockingagent that is approximately 2.5 times more potent thand-tubocurarine. Its duration of action (half-life, 0.33 hours)is much shorter than that of d-tubocurarine.
1. Names and Identifiers
1.1 Name
Atracurium besylate
1.2 Synonyms

2-(2-carboxyethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinolinium benzenesulfonate, pentamethylene ester 2-(2-carboxyethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinolinium benzenesulfonate,pentamethylene ester 2,2'-((pentane-1,5-diylbis(oxy))bis(3-oxopropane-3,1-diyl))bis(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium) benzenesulfonate 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 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 (9ci) atracurium besilate atracurium besylate atracurium dibesilate 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-methyliso 2,2'-{pentane-1,5-diylbis[oxy(3-oxopropane-3,1-diyl)]}bis[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium] bisbenzenesulfonate 2,2'-{pentane-1,5-diylbis[oxy(3-oxopropane-3,1-diyl)]}bis[1-{[3,4-bis(methyloxy)phenyl]methyl}-2-methyl-6,7-bis(methyloxy)-1,2,3,4-tetrahydroisoquinolinium] bisbenzenesulfonate 33 a 74 40AX66P76P 64228-79-1 (parent) A834680 AB1004899 AC1L2HUI AKOS015895831 AMBAP64228-79-1 AN-15362 AN-6664 AS-14131 atracurii besilas atracurii besilas [inn-latin] atracurium (besylate) atracurium besilate atracurium besilate (inn) atracurium besilate [inn] Atracurium Besilate injection Atracurium besy atracurium besylate (usp) atracurium besylate [usan:ban] atracurium besylate [usan:usp] atracurium besylate preservative free atracurium besylate, >=98% (hplc), powder atracurium besylate, european pharmacopoeia (ep) reference standard atracurium besylate, mixture of isomers atracurium besylate, united states pharmacopeia (usp) reference standard atracurium dibenzenesulfonate atracurium for peak identification, european pharmacopoeia (ep) reference standard benzenesulfonate 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-2-ium-2-yl]propanoic acid 5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-2-ium-2-yl]-1-oxopropoxy]pentyl ester benzenesulfonate 5-[3-[(1r,2r)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1s,2s)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-2-ium-2-yl]propan benzenesulfonate 5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-2-ium-2-yl]propanoate benzenesulfonate5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-di besilate d'atracurium besilate d'atracurium [inn-french] Besilate datracurium [INN-French] besilato de atracurio besilato de atracurio [inn-spanish] bw 33 a bw 33a bw-33a bw-33a besylate c53h72n2o12 c65h82n2o18s2 CA0147 cas-64228-81-5 CCG-213566 CHEBI:2915 CHEMBL1200527 CS-2306 D00758 DB00732 dsstox_cid_2630 dsstox_gsid_22630 dsstox_rid_76665 DTXSID6022630 einecs 264-743-4 FT-0659516 HMS1568A11 HMS2095A11 HMS3651C21 HY-B0292A hydro-1h-isoquinolin-2-ium-2-yl]propanoate I06-1457 I14-0811 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 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 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 K027 KS-00000L5H letrozolex LP101934 LS-176358 MOLPORT-003-940-284 NC00429 NCGC00017127-01 NCGC00262598-02 nsc760047 nsc-760047 pentamethylen bis(3-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-(3,4-dimethoxybenzyl)-2-methyl-2-isochinolyl)propionat) bis(benzolsulfonat) pentamethylene bis(3-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-(3,4-dimethoxybenzyl)-2-methyl-2-isochinolyl)propionate)bis(benzolsulfonate) pharmakon1600-01505872 PUBCHEM3018 Q-101018 Q-200864 SCHEMBL41251 sr-01000781272 SR-01000781272-3 TL8004537 tox21_110790 Track detectorsTracrium tracrium tracrium (tn) tracrium besylate tracrium preservative free unii-40ax66p76p XXZSQOVSEBAPGS-UHFFFAOYSA-L

1.3 CAS No.
64228-81-5
1.4 CID
47320
1.5 EINECS(EC#)
264-743-4
1.6 Molecular Formula
C65H82N2O18S2 (isomer)
1.7 Inchi
InChI=1S/C53H72N2O12.2C6H6O3S/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6;2*7-10(8,9)6-4-2-1-3-5-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3;2*1-5H,(H,7,8,9)/q+2;;/p-2
1.8 InChkey
XXZSQOVSEBAPGS-UHFFFAOYSA-L
1.9 Canonical Smiles
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]
1.10 Isomers Smiles
C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]
2. Properties
3.1 Melting Point
85-90℃
3.2 Appearance
white to yellowish-white powder, slightly hygroscopic
3.3 Color/Form
white
3.4 Solubility
H2O: ~27?mg/mL
3.5 StorageTemp
2-8°C
3.6 Water Solubility
H2O: ~27 mg/mL
3. Use and Manufacturing
4.1 Definition
ChEBI: The bisbenzenesulfonate salt of atracurium.
4.2 General Description
Atracurium besylate, 2-(2-carboxyethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinolinium benzenesulfonate pentamethyleneester (Tracrium), is a nondepolarizing neuromuscular blockingagent that is approximately 2.5 times more potent thand-tubocurarine. Its duration of action (half-life, 0.33 hours)is much shorter than that of d-tubocurarine.
4.3 GHS Classification
Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 61 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H300 (19.67%): Fatal if swallowed [Danger Acute toxicity, oral]
H301 (75.41%): Toxic if swallowed [Danger Acute toxicity, oral]
H310 (21.31%): Fatal in contact with skin [Danger Acute toxicity, dermal]
H330 (21.31%): Fatal if inhaled [Danger Acute toxicity, inhalation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P260, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P304+P340, P310, P320, P321, P322, P330, P361, P363, P403+P233, P405, and P501
4.4 Usage
1. It is a kind of non-depolarizing muscle relaxants with the 2.5 times of effect as high as tubocurarine 2.5 times but with a short duration. It is used for a variety of surgical procedures, especially for intubation and caesarean section.2. It is a skeletal muscle relaxant for general anesthesia.
4. Safety and Handling
5.1 Safety

WGK Germany: 3

5.2 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.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

8. Computational chemical data
  • Molecular Weight:1243.487g/mol
  • Molecular Formula:C65H82N2O18S2
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:1242.50040612
  • Monoisotopic Mass:1242.50040612
  • Complexity:1560
  • Rotatable Bond Count:26
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:18
  • Topological Polar Surface Area:258
  • Heavy Atom Count:87
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:4
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
9. Recommended Suppliers
Global253SuppliersView all >>
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Atracurium Besylate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2021/01/29
Inquire
  • Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
  • Tel:86-431-81915458
  • Email:cathytan@jltely.com
Atracurium besylate CAS No.: 64228-81-5
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Gram
  • Time: 2020/12/09
Inquire
  • Products:MK677, LGD4033 etc Sarms, HGH peptide,Nootropics,Tianeptine sodium, CBD oil, cannabidiol powder,Sildenafil Viagra powder, Tadalafil cialis powder, steroids etc
  • Tel:0086-311-15511698343
  • Email:anny@bsterltd.com
Atracurium besylate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/g
  • Time: 2021/07/23
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Atracurium besylate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2019/12/20
Inquire
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Atracurium besylate 64228-81-5
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2020/01/07
Inquire