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Dimethyltubocurarinium Chloride
[CAS# 33335-58-9]

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CAS#: 33335-58-9
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Identification
Classification API >> Anesthetic agents >> Skeletal muscle relaxant
Name Dimethyltubocurarinium Chloride
Synonyms Dimetiltubocurarinio Cloruro [Dcit]; O,O-Dimethyl-(+)-Tubocurarine Chloride
Molecular Structure CAS#: 33335-58-9, Dimethyltubocurarinium Chloride
Molecular Formula C40H48Cl2N2O6
Molecular Weight 723.74
CAS Registry Number 33335-58-9
EINECS 251-461-1
SMILES [C@@H]26C1=C(C(=C(OC)C=C1CC[N+]2(C)C)OC)OC7=CC=C(C[C@H]4C3=CC(=C(C=C3CC[N+]4(C)C)OC)OC5=C(OC)C=CC(=C5)C6)C=C7.[Cl-].[Cl-]
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
InChIKey IRPSJVWFSWAZSZ-OIUSMDOTSA-L
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