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Inhibitor Report for: Atracurium

Neuromuscular Nondepolarizing Agent, Nicotinic Antagonist, Neuromuscular blocking agent, (close to doxacurium) Cisatracurium is the 1R-cis 1'R-cis isomer of atracurium. Atracurium and Cisatracurium undergo spontaneous non-organ-dependent Hofmann degradation at physiological pH and temperature. Ligand of small conductance Ca2+-activated K+ (SKca) channels


General
Type Not A/B H target, Neuromuscular Nondepolarizing Agents, Drug, Isoquinoline, Propionate
Chemical_Nomenclature 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
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 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-]
InChI InChI=1S/C53H72N2O12/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/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2 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 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/t42-,43-,54-,55-;;/m1../s1
InChIKey YXSLJKQTIDHPOT-UHFFFAOYSA-N XXZSQOVSEBAPGS-UHFFFAOYSA-L
Other name(s) Isoquinolinium, 1,2,3,4-tetrahydro-2,2'-(1,5-pentanediylbis(oxy(3-oxo-3,1-propanediyl)))bis(1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-2-methyl-Isoquinolinium ; Atracurium besylate ; Tracrium ; BW 33A ; Prestwick1_000005 ; SPBio_001930 ; BRN 1523633 ; C07548 ; 64228-79-1 ; 64228-81-5 ; Isoquinolinium, 1,2,3,4-tetrahydro-2,2'-(1,5-pentanediylbis(oxy(3-oxo-3,1-propanediyl)))bis(1-((3,4-dimethoxyphenyl)methyl)-6,7-dimethoxy-2-methyl- ; 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- ; Nimbex ; NCGC00017127-01 ; 51W89
________________________________________________________________________________________________
MW|929.145
Formula|C53H72N2O12
CAS_number|64228-79-1, 64228-81-5
PubChem|47319, 47320, 62886
UniChem|YXSLJKQTIDHPOT-UHFFFAOYSA-N, XXZSQOVSEBAPGS-UHFFFAOYSA-L
IUPHAR|
Wikipedia|Atracurium_besilate

Target
Families | Atracurium ligand of proteins in family: BCHE

References:
Search PubMed for references concerning: Atracurium

11 more
    Title: Protein binding of atracurium and other short-acting neuromuscular blocking agents and their interaction with human cholinesterases
    Foldes FF, Deery A
    Ref: British Journal of Anaesthesia, 55:31S, 1983 : PubMed

            

    Title: Clinical pharmacology of atracurium besylate (BW 33A): a new non- depolarizing muscle relaxant
    Basta SJ, Ali HH, Savarese JJ, Sunder N, Gionfriddo M, Cloutier G, Lineberry C, Cato AE
    Ref: Anesthesia & Analgesia, 61:723, 1982 : PubMed

            

    Title: The pharmacology of atracurium: a new competitive neuromuscular blocking agent
    Hughes R, Chapple DJ
    Ref: British Journal of Anaesthesia, 53:31, 1981 : PubMed