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TTD Drug ID: DAP000350

Drug Information
NameDoxacurium chloride
SynonymsDoxacurii chloridum [Latin]; Chlorure de doxacurium [French]; Cloruro de doxacurio [Spanish]; BW A938U dichloride; AC1NSJYE; CID5311077; 1-O-[3-[(1R)-6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] 4-O-[3-[(1S)-6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] butanedioate; BW-A-938U; Doxacurium chloride [USAN:INN:BAN]; AC1NSJYB; Isoquinolinium, 2,2'-((1,4-dioxo-1,4-butanediyl)bis(oxy-3,1-propanediyl))bis(1,2,3,4-tetrahydro-6,7,8-trimethoxy-2-methyl-1-((3,4,5-trimethoxyphenyl)methyl)-, dichloride, (1alpha,2beta(1'S*,2'R*))-, mixture with (+-)-(1alpha,2beta(1'R*,2'S*))-2,2'-((1,4-dioxo-1,4-butanediyl)bis(oxy-3,1-propanediyl))bis(1,2,3,4-tetrahydro-6,7,8-trimethoxy-2-methyl-1-((3,4,5-trimethoxyphenyl)met; (1R,2S;1S,2R)-1,2,3,4-Tetrahydro-2-(3-hydroxypropyl)-6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)isoquinolinium chloride, succinate (2:1), mixture with (+-)-(1R*,2S*;1R*,2S*)-1,2,3,4-tetrahydro-2-(3-hydroxypropyl)-6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)isoquinolinium chloride, succinate (2:1); BW A938U; Isoquinolinium, 2,2'-((1,4-dioxo-1,4-butanediyl)bis(oxy-3,1-propanediyl))bis(1,2,3,4-tetrahydro-6,7,8-trimethoxy-2-methyl-1-((3,4,5-trimethoxyphenyl)methyl)-, dichloride, (1alpha,2beta(1'S*,2'R*))-, mixture with (+-)-(1alpha,2beta(1'R*,2'S*))-2,2'-((1,4-dioxo-1,4-butanediyl)bis(oxy-3,1-propanediyl))bis(1,2,3,4-tetrahydro-6,7,8-trimethoxy-2-methyl-1-((3,4,5-trimethoxyphenyl)methyl)isoquinolinium) dichloride; CHEMBL1200753; LS-172021; C56H78N2O16; DOXACURIUM CHLORIDE; BW-A938U; BW-A 938U; CID5311076; 1-O-[3-[(1R)-6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] 4-O-[3-[(1S)-6,7,8-trimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] butanedioate dichloride
Trade NameNuromax
IndicationGeneral anesthesia
[ICD9: 338   ICD10: R52]
Approved    [1]
Structure

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InChI1S/C56H78N2O16.2ClH/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)4
9(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(7
2-14)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/t39-,40+,57?,58?;;
InChIKeyAPADFLLAXHIMFU-QBTMMFGGSA-L
Canonical SMILESC[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-]    
Isomeric SMILESC[N+]1(CCC2=CC(=C(C(=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC)CCCOC(=O)
CCC(=O)OCCC[N+]4(CCC5=CC(=C(C(=C5[C@@H]4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)
OC)C.[Cl-].[Cl-]
Therapeutic ClassNeuromuscular Nondepolarizing Agents
CAS NumberCAS 106819-53-8
FormulaC56H78Cl2N2O16
PubChem Compound IDCID 5311076.
PubChem Substance IDSID 7979126.
SuperDrug ATC IDM03AC07
SuperDrug CAS ID106819538;
TargetNeuronal acetylcholine receptor subunit alpha-2Antagonist[2]
Ref 1Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77. Epub 2007 Feb 20. To Reference
Ref 2Synergy between pairs of competitive antagonists at adult human muscle acetylcholine receptors. Anesth Analg. 2008 Aug;107(2):525-33. To Reference



 

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