Dimethyltubocurarinium chloride

Dimethyltubocurarinium chloride (INN; also known as metocurine chloride (USAN) and dimethyltubocurarine chloride) is a non-depolarizing nicotinic acetylcholine receptor antagonist used as a muscle relaxant.

Dimethyltubocurarinium chloride
Clinical data
Other names(+)-O,O'-dimethyl-tubocurine dichloride
ATC code
Identifiers
IUPAC name
  • (1S,16R)-9,10,21,25-Tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24,26,31,35-dodecaene-15,30-diium dichloride
CAS Number
PubChem CID
DrugBank
ChemSpider
UNII
CompTox Dashboard (EPA)
ECHA InfoCard100.046.768
Chemical and physical data
FormulaC40H48Cl2N2O6
Molar mass723.73 g·mol−1
3D model (JSmol)
    SMILES
    • C[N+]1(CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5OC)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)OC)(C)C)OC)C.[Cl-].[Cl-]
    InChI
    • InChI=1S/C40H48N2O6.2ClH/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36;;/h9-14,21-24,31-32H,15-20H2,1-8H3;2*1H/q+2;;/p-2/t31-,32+;;/m0../s1
    • Key:IRPSJVWFSWAZSZ-OIUSMDOTSA-L
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    References
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