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alcuronium

Properties

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Occurences in reactions

MNX_ID

MNXM40560

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₄₄H₅₀N₄O₂

charge

mass

666.39228

reference

chebi:55313

InChIKey

MUQUYTSLDVKIOF-CHJKCJHBSA-N

InChI

InChI=1S/C44H50N4O2/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/q+2/b29-13-,30-14-,33-25-,34-26-/t31-,32-,39-,40-,41-,42-,43+,44+,47-,48-/m0/s1

SMILES

C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:55313 chebi:55313	alcuronium (1R,3aR,9Z,10S,11aS,12R,14aR,19aS,20Z,20bS,21S,22aS,23E,26E)-23,26-bis(2-hydroxyethylidene)-1,12-di(prop-2-en-1-yl)-1,2,3,10,11,11a,12,13,14,21,22,22a-dodecahydro-19aH,20bH-1,21:10,12-diethanodipyrrolo[3,2-f:3,2-f'][1,5]diazocino[3,2,1-jk:7,6,5-j'k']dicarbazole-1,12-diium 4,4'-Didemethyl-4,4'-di-2-propenyl-toxiferine I (9CI) Alcuronum Alloferine Diallylbis(nortoxiferine) Diallylnortoxiferine Diallyltoxiferine N,N'-Diallylnortoxiferinium N,N'-diallyl-bis-nor-toxiferine