Cas no 64228-78-0 (Atracurium oxalate)

Atracurium oxalate is a non-depolarizing neuromuscular blocking agent belonging to the benzylisoquinolinium class. It acts as a competitive antagonist at nicotinic acetylcholine receptors in the neuromuscular junction, inducing skeletal muscle relaxation. A key advantage of atracurium oxalate is its intermediate duration of action, making it suitable for surgical procedures requiring controlled paralysis. It undergoes Hofmann elimination, a pH- and temperature-dependent degradation pathway, independent of hepatic or renal metabolism, which reduces the risk of accumulation in patients with organ dysfunction. The compound also exhibits minimal cardiovascular effects, enhancing its safety profile. Its stability in aqueous solutions facilitates clinical preparation and administration.
Atracurium oxalate structure
Atracurium oxalate structure
Product Name:Atracurium oxalate
CAS No:64228-78-0
MF:C55H70N2O20
MW:1079.14571809769
CID:58149
PubChem ID:6454828
Update Time:2025-10-24

Atracurium oxalate Chemical and Physical Properties

Names and Identifiers

    • Atracurium oxalate
    • Pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate] dioxalate
    • 1R,1R'-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] dioxalate
    • R-atracurium dioxalate
    • AS-75189
    • pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate], dioxalate;Pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate] dioxalate
    • AKOS015951366
    • 5-[(3-{1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}propanoyl)oxy]pentyl 3-{1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl}propanoate; bis(oxalic acid)
    • pentamethylene bis[1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate], dioxalate
    • EINECS 264-741-3
    • Pentamethylene bis(1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxy-1H-isoquinoline-2-propionate), dioxalate
    • Atracurium dioxalate
    • B0371-336184
    • 64228-78-0
    • FT-0694090
    • FT-0655115
    • Pentane-1,5-diyl bis(3-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)propanoate) dioxalate
    • cis-Atracurium oxalate pound>>Atracurium Besylate EP impurity B;(R,R)-N,N inverted exclamation mark -Didemethyl Atracurium Oxalate;Atracurium dioxalate
    • Atracuriumdioxalate
    • BCP22907
    • AC-24188
    • DTXSID30867062
    • 5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanoate;oxalic acid
    • CisAtracurium Oxalate
    • DB-050237
    • cis-Atracurium oxalate
    • NGJVDNJEQWIMBU-UHFFFAOYSA-N
    • 2(1H)-Isoquinolinepropanoic acid,1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-,1,5-pentanediyl ester, ethanedioate (1:2)
    • 5-[(3-{1-[(3,4-DIMETHOXYPHENYL)METHYL]-6,7-DIMETHOXY-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL}PROPANOYL)OXY]PENTYL 3-{1-[(3,4-DIMETHOXYPHENYL)METHYL]-6,7-DIMETHOXY-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL}PROPANOATE; BIS(OXALIC ACID)
    • Inchi: 1S/C51H66N2O12.2C2H2O4/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;2*3-1(4)2(5)6/h12-15,28-33,40-41H,9-11,16-27H2,1-8H3;2*(H,3,4)(H,5,6)
    • InChI Key: NGJVDNJEQWIMBU-UHFFFAOYSA-N
    • SMILES: O(C)C1C(=CC2CCN(CCC(=O)OCCCCCOC(CCN3CCC4C=C(C(=CC=4C3CC3C=CC(=C(C=3)OC)OC)OC)OC)=O)C(CC3C=CC(=C(C=3)OC)OC)C=2C=1)OC.OC(C(=O)O)=O.OC(C(=O)O)=O

Computed Properties

  • Exact Mass: 1016.49000
  • Monoisotopic Mass: 1078.452193
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 22
  • Heavy Atom Count: 77
  • Rotatable Bond Count: 28
  • Complexity: 1370
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 282

Experimental Properties

  • Color/Form: Powder
  • Boiling Point: 916.8 °C at 760 mmHg
  • Flash Point: 508.3 °C
  • PSA: 206.70000
  • LogP: 4.46930

Atracurium oxalate Security Information

Atracurium oxalate Customs Data

  • HS CODE:2933499090
  • Customs Data:

    China Customs Code:

    2933499090

    Overview:

    2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on Atracurium oxalate

Atracurium Oxalate: A Comprehensive Overview

Atracurium oxalate, with the CAS number 64228-78-0, is a significant compound in the field of pharmacology, particularly within the realm of neuromuscular blocking agents. This compound, also known as atracurium besylate, is widely recognized for its role in facilitating smooth muscle relaxation during surgical procedures. The atracurium oxalate molecule is a derivative of atracurium, which belongs to the benzylisoquinoline class of drugs. Its primary application lies in anesthesia, where it is used to induce paralysis of skeletal muscles, enabling surgeons to perform operations with greater ease and precision.

Recent advancements in pharmacological research have shed new light on the mechanisms of action and clinical applications of atracurium oxalate. Studies have demonstrated that this compound exhibits a rapid onset of action, typically within 1-3 minutes after administration, making it highly suitable for emergency procedures where quick muscle relaxation is essential. Moreover, its intermediate duration of action (approximately 20-40 minutes) ensures that it remains effective throughout the surgical intervention without requiring frequent re-administration. This characteristic has made atracurium oxalate a preferred choice among anesthesiologists worldwide.

The pharmacokinetics of atracurium oxalate are another area of interest for researchers. It undergoes hepatic metabolism via the Hofmann elimination pathway, which is independent of plasma cholinesterase activity. This unique metabolic pathway contributes to its safety profile, particularly in patients with liver dysfunction or those undergoing prolonged surgical procedures. Recent clinical trials have further validated its efficacy and safety profile, confirming its suitability for use in diverse patient populations, including children and elderly individuals.

In terms of clinical applications, atracurium oxalate is not only limited to general anesthesia but also finds utility in intensive care units (ICUs) for patients requiring mechanical ventilation. Its ability to provide controlled muscle relaxation without significant cardiovascular side effects makes it an ideal option for critically ill patients. Furthermore, emerging research has explored its potential use in combination with other neuromuscular blocking agents to optimize surgical outcomes while minimizing adverse effects.

One of the most notable recent developments involving atracurium oxalate is its integration into minimally invasive surgical techniques. With the rise of laparoscopic and robotic-assisted surgeries, there is an increased demand for neuromuscular blocking agents that offer precise control over muscle relaxation without compromising patient safety. Atracurium oxalate has demonstrated exceptional performance in these settings, contributing to improved surgical precision and faster recovery times for patients.

Another critical aspect of atracurium oxalate research involves its interaction with other medications and its impact on postoperative recovery. Studies have shown that when administered in conjunction with opioid analgesics or other anesthetic agents, it can enhance the overall efficacy of anesthesia while reducing the required doses of other medications. This synergistic effect not only optimizes patient outcomes but also lowers the risk of adverse drug reactions.

The safety profile of atracurium oxalate has been extensively studied, with minimal reports of severe adverse effects. However, like all neuromuscular blocking agents, it carries a risk of causing transient apnea if not properly titrated or if administered to patients with pre-existing neuromuscular conditions. Recent guidelines emphasize the importance of monitoring neuromuscular function using peripheral nerve stimulators to ensure safe administration and prevent complications.

Looking ahead, ongoing research aims to further refine the therapeutic applications and delivery methods of atracurium oxalate. Innovations such as extended-release formulations or targeted drug delivery systems could potentially expand its utility in both surgical and non-surgical settings. Additionally, comparative studies are being conducted to evaluate its performance against newer-generation neuromuscular blocking agents, ensuring that clinicians have access to the most effective treatment options.

In conclusion, atracurium oxalate (CAS No: 64228-78-0) stands as a cornerstone in modern anesthesia practice due to its unique pharmacokinetic properties, rapid onset of action, and favorable safety profile. As research continues to uncover new insights into its mechanisms and applications, this compound remains at the forefront of advancements in neuromuscular blockade therapy.

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