GRADE & PURITY 10mM in DMSO

Synonyms

Atracurium besylate|64228-81-5|Atracurium besilate|Tracrium|Atracurium Dibesylate|Atracurium (besylate)|BW-33A|Besilate d'atracurium|Besilato de atracurio|Atracurii besilas|Tracrium Preservative Free|BW 33A|Atracurium Besylate Preservative Free|CHEBI:2915

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Atracurium Besylate is a neuromuscular blocking agent with ED95 of 0.2 mg/kg.
Atracurium Besylate , a specialty product for proteomics research

Specifications

Sinónimos

Atracurium besylate | 64228-81-5 | Atracurium besilate | Tracrium | Atracurium Dibesylate | Atracurium (besylate) | BW-33A | Besilate d'atracurium | Besilato de atracurio | Atracurii besilas | Tracrium Preservative Free | BW 33A | Atracurium Besylate Preservative Free | CHEBI:2915

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Atracurium Besylate is a neuromuscular blocking agent.Competitive neuromuscular blocking agent. Non-depolarizing with short duration of action.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ANTAGONIST

Mecanismo de acción

Muscle-type nicotinic acetylcholine receptor antagonist

Nombres e identificadores

• Sonrisas canónicas: 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-]
• 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
• InChIKey: XXZSQOVSEBAPGS-UHFFFAOYSA-L
• 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
• Isómeros 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-]
• CAS alternativo: 64228-81-5,64228-79-1 (Parent)
• Número NSC: 760047
• Términos de entrada MeSH: 33 A 74;A 74, 33;Atracurium;Atracurium Besilate;Atracurium Besylate;Atracurium Dibesylate;Besilate, Atracurium;BW 33A;BW-33A;BW33A;Relatrac;Tracrium
• Peso molecular: 1243.48
• Reaxy-Rn: 3535417
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3535417&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Isoquinolines and derivatives
      • Subclass Benzylisoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Isoquinolines and derivatives
• Subclass: Benzylisoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylisoquinolines
• Alternative Parents: Benzenesulfonic acids and derivatives Dimethoxybenzenes Tetrahydroisoquinolines 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Phenoxy compounds Anisoles Aralkylamines Alkyl aryl ethers Dicarboxylic acids and derivatives Organosulfonic acids Tetraalkylammonium salts Sulfonyls Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organic salts Organic zwitterions Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Benzylisoquinoline - Tetrahydroisoquinoline - Benzenesulfonate - O-dimethoxybenzene - Dimethoxybenzene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Tetraalkylammonium salt - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Ether - Organonitrogen compound - Organic salt - Amine - Organic zwitterion - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.
• External Descriptors: quaternary ammonium salt - organosulfonate salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

Discover Target: ABCC3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

Discover Target: ABCC4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Gallus gallus (1187 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: heat sensitive
• Peso molecular: 1243.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 26
• Exact Mass: 1242.5 Da
• Monoisotopic Mass: 1242.5 Da
• Topological Polar Surface Area: 258.000 Ų
• Heavy Atom Count: 87
• Formal Charge: 0
• Complexity: 1560.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3