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Dibutyrate-pancuronium

General

Type : Butyrate,Nicotinic antagonist,Not A\/B H target,Phenanthrene,Neuromuscular Nondepolarizing Agents

Chemical_Nomenclature : [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-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] butanoate

Canonical SMILES : CCCC(=O)OC1CC2CCC3C(C2(CC1[N+]4(CCCCC4)C)C)CCC5(C3CC(C5OC(=O)CCC)[N+]6(CCCCC6)C)C

InChI : InChI=1S\/C39H68N2O4\/c1-7-15-35(42)44-34-25-28-17-18-29-30(39(28,4)27-33(34)41(6)23-13-10-14-24-41)19-20-38(3)31(29)26-32(37(38)45-36(43)16-8-2)40(5)21-11-9-12-22-40\/h28-34,37H,7-27H2,1-6H3\/q+2\/t28-,29+,30-,31-,32-,33-,34-,37-,38-,39-\/m0\/s1

InChIKey : RBUFMKFCURQZKQ-ZOIQAGDZSA-N

Other name(s) : AC1MI3I6,[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-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] butanoate,1,1'-[(2beta,3alpha,5alpha16beta,17beta)-3,17- bis(butyryloxy)androstane-2,16-diyl]bis[1-methylpiperidinium],Dibutyryloxy pancuronium,Pancuronium dibutyrate

MW : 628.97

Formula : C39H68N2O4 2+

CAS_number :

PubChem : 3037782

UniChem : RBUFMKFCURQZKQ-ZOIQAGDZSA-N

Target

Families : Dibutyrate-pancuronium ligand of proteins in family
BCHE

References (3)

Title : Genetic variants of human serum cholinesterase influence metabolism of the muscle relaxant succinylcholine. - Lockridge_1990_Pharmacol.Ther_47_35
Author(s) : Lockridge O
Ref : Pharmacol Ther , 47 :35 , 1990
Abstract : Lockridge_1990_Pharmacol.Ther_47_35
ESTHER : Lockridge_1990_Pharmacol.Ther_47_35
PubMedSearch : Lockridge_1990_Pharmacol.Ther_47_35
PubMedID: 2195556
Gene_locus related to this paper: human-BCHE

Title : Differential inhibition of plasma cholinesterase variants using the dibutyrate analogue of pancuronium bromide - Whittaker_1981_Hum.Hered_31_242
Author(s) : Whittaker M , Britten JJ
Ref : Hum Hered , 31 :242 , 1981
Abstract : Whittaker_1981_Hum.Hered_31_242
ESTHER : Whittaker_1981_Hum.Hered_31_242
PubMedSearch : Whittaker_1981_Hum.Hered_31_242
PubMedID: 7287015

Title : The activity of various esterase inhibitors towards atypical human serum cholinesterase -
Author(s) : Kalow W , Davies R0
Ref : Biochemical Pharmacology , 1 :183 , 1958
PubMedID: 
Array
(
    [id] => 87
    [inhibitor] => Dibutyrate-pancuronium
    [type] => Array
        (
            [0] => Butyrate
            [1] => Nicotinic antagonist
            [2] => Not A\/B H target
            [3] => Phenanthrene
            [4] => Neuromuscular Nondepolarizing Agents
        )

    [other_name] => Array
        (
            [0] => AC1MI3I6
            [1] => [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-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] butanoate
            [2] => 1,1'-[(2beta,3alpha,5alpha16beta,17beta)-3,17- bis(butyryloxy)androstane-2,16-diyl]bis[1-methylpiperidinium]
            [3] => Dibutyryloxy pancuronium
            [4] => Pancuronium dibutyrate
        )

    [chemical_nomenclature] => [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-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] butanoate
    [formula] => C39H68N2O4 2+
    [cas_number] => 
    [mw] => 628.97
    [pick_me_to_call] => display_script
    [kinetic_parameter] => Dibutyrate-pancuronium_WT_human-BCHE || Dibutyrate-pancuronium_D70G_human-BCHE
    [paper] => Kalow_1958_Biochem.Pharmacol_1_183 || Whittaker_1981_Hum.Hered_31_242 || Lockridge_1990_Pharmacol.Ther_47_35
    [comment] => 
    [gene_locus] => 
    [kin_inhibitor] => Dibutyrate-pancuronium
    [cid] => 3037782
    [family] => BCHE
    [inchikey] => RBUFMKFCURQZKQ-ZOIQAGDZSA-N
    [canonicalsmiles] => CCCC(=O)OC1CC2CCC3C(C2(CC1[N+]4(CCCCC4)C)C)CCC5(C3CC(C5OC(=O)CCC)[N+]6(CCCCC6)C)C
    [inchi] => InChI=1S\/C39H68N2O4\/c1-7-15-35(42)44-34-25-28-17-18-29-30(39(28,4)27-33(34)41(6)23-13-10-14-24-41)19-20-38(3)31(29)26-32(37(38)45-36(43)16-8-2)40(5)21-11-9-12-22-40\/h28-34,37H,7-27H2,1-6H3\/q+2\/t28-,29+,30-,31-,32-,33-,34-,37-,38-,39-\/m0\/s1
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)