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Inhibitor Report for: Doxacurium

Name Class
DoxacuriumTypeNeuromuscular Nondepolarizing Agents
Isoquinoline
Bisquaternary
Not A/B H target
Other_NameNuromax
BW A938U
Chemical_Nomenclaturebis[3-[(1S)-6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]propyl] butanedioate dichloride
FormulaC56H78N2O16
CAS_number106819-53-8
MW1035.22
PaperAtherton_1999_Clin.Pharmacokinet_36_169
Bevan_1994_Pharmacol.Toxicol_74_3
Hunter_1995_N.Engl.J.Med_332_1691
CommentInteraction of doxacurium with cholinesterase not clinically relevent .neuromuscular non depolarising blocking drug, benzylisoquinolines resembling atracurium, benzylisoquinolinium diester. Bis quaternary
CID5311076
60168
FamilyBCHE
InChIKeyAPADFLLAXHIMFU-UHFFFAOYSA-L
CanonicalSMILESC[N+]1(CCC2=CC(=C(C(=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC)CCCOC(=O)CCC(=O)OCCC[N+]4(CCC5=CC(=C(C(=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)OC)C.[Cl-].[Cl-]
InChIInChI=1S/C56H78N2O16.2ClH/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6;;/h29-34,39-40H,15-28H2,1-14H3;2*1H/q+2;;/p-2
WikipediaDoxacurium_chloride

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Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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