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Inhibitor Report for: Cisatracurium

Name Class
CisatracuriumType (6)
Other_Namecisatracurium besylate
3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
Chemical_Nomenclature5-[3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl
FormulaC53H72N2O12
CAS_number96946-42-8
MW929.14
PaperAtherton_1999_Clin.Pharmacokinet_36_169
Diefenbach_1997_Anaesthesist_46_385
Nigrovic_1997_Anaesthesist_46_282
CommentNeuromuscular 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
CID62887
FamilyBCHE
InChIKeyYXSLJKQTIDHPOT-LJCJQEJUSA-N
CanonicalSMILESC[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
InChIInChI=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/t42-,43-,54-,55-/m1/s1
WikipediaCisatracurium_besilate

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