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Inhibitor Report for: 17-desoxypancuronium

Name Class
17-desoxypancuroniumTypeNicotinic antagonist
Neuromuscular Nondepolarizing Agents
Not A/B H target
Acetate
Other_Name (8)
Chemical_Nomenclature[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
FormulaC33H58N2O3+2
CAS_number43021-45-0
MW530.82
Kinetic_parameter17-desoxypancuronium_WT_human-BCHE
17-desoxypancuronium_D70G_human-BCHE
PaperKalow_1958_Biochem.Pharmacol_1_183
Whittaker_1981_Hum.Hered_31_242
Lockridge_1990_Pharmacol.Ther_47_35
CommentDacuronium, 17-desoxy analog of pancuronium
17-desoxy analog of pancuronium
Kin_Inhibitor17-desoxypancuronium
CID (5)
FamilyBCHE
InChIKey (5)
CanonicalSMILESCC(=O)OC1CC2CCC3C(C2(CC1[N+]4(CCCCC4)C)C)CCC5(C3CC(C5O)[N+]6(CCCCC6)C)C
InChIInChI=1S/C33H58N2O3/c1-23(36)38-30-20-24-12-13-25-26(33(24,3)22-29(30)35(5)18-10-7-11-19-35)14-15-32(2)27(25)21-28(31(32)37)34(4)16-8-6-9-17-34/h24-31,37H,6-22H2,1-5H3/q+2/t24-,25+,26-,27-,28-,29-,30-,31-,32-,33-/m0/s1

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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