Identification Common Name Alcuronium chloride Class Small Molecule Description Chloride salt of alcuronium. Contaminant Sources ToxCast & Tox21 Chemicals Contaminant Type Not Available Chemical Structure Synonyms Value Source 4,4'-Didemethyl-4,4'-di-2-propenyltoxiferine I dichloride ChEBI Alcuronii chloridum ChEBI Alcuronium dichloride ChEBI Alloferin ChEBI Chlorure d'alcuronium ChEBI Cloruro de alcuronio ChEBI Diallylnortoxiferine dichloride ChEBI N,N'-diallylnortoxiferinium dichloride ChEBI Alcuronium MeSH Allnortoxiferine MeSH Dialferine MeSH Diallylnortoxiferine MeSH Dichloride, alcuronium MeSH Dichloride, N,n'-diallylnortoxiferinium MeSH Alcuronium chloride MeSH
Chemical Formula C44 H50 Cl2 N4 O2 Average Molecular Mass 737.810 g/mol Monoisotopic Mass 736.331 g/mol CAS Registry Number 15180-03-7 IUPAC Name (1S,11S,13S,14R,17S,27S,28E,30R,33S,35S,37E,38S)-28,37-bis(2-hydroxyethylidene)-14,30-bis(prop-2-en-1-yl)-8,14,24,30-tetraazaundecacyclo[25.5.2.2¹¹,¹⁴.1¹,⁸.1¹⁰,¹⁷.0²,⁷.0¹³,¹⁷.0¹⁸,²³.0³⁰,³³.0²⁴,³⁵.0²⁶,³⁸]octatriaconta-2,4,6,9,18,20,22,25-octaene-14,30-diium dichloride Traditional Name alcuronium dichloride SMILES [Cl-].[Cl-].[H]\C(CO)=C1/C[N@+]2(CC=C)CC[C@]34C5=CC=CC=C5N5\C([H])=C6/[C@]7([H])N(\C([H])=C(/[C@@]35[H])[C@@]1([H])C[C@]24[H])C1=CC=CC=C1[C@@]71CC[N@@+]2(CC=C)C\C(=C(/[H])CO)[C@]6([H])C[C@@]12[H] InChI Identifier InChI=1S/C44H50N4O2.2ClH/c1-3-17-47-19-15-43-35-9-5-7-11-37(35)45-26-34-32-24-40-44(16-20-48(40,18-4-2)28-30(32)14-22-50)36-10-6-8-12-38(36)46(42(34)44)25-33(41(43)45)31(23-39(43)47)29(27-47)13-21-49;;/h3-14,25-26,31-32,39-42,49-50H,1-2,15-24,27-28H2;2*1H/q+2;;/p-2/b29-13-,30-14-,33-25-,34-26-;;/t31-,32-,39-,40-,41-,42-,43+,44+,47-,48-;;/m0../s1 InChI Key CPYGBGOXCJJJGC-GKLGUMFISA-L 
