CHEBI:55313 - alcuronium

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ChEBI Name alcuronium
Definition An indole alkaloid of the curare family. A neuroblocker, it is often used in chloride form as an anesthesia adjuvant.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C44H50N4O2
Net Charge +2
Average Mass 666.89340
Monoisotopic Mass 666.39228
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 [H][C@]12C[C@@]3([H])[C@@]4(CC[N@@+]3(CC=C)C\C1=C\CO)c1ccccc1N1\C=C3\[C@@]5([H])C[C@@]6([H])[C@@]7(CC[N@@+]6(CC=C)C\C5=C\CO)c5ccccc5N(\C=C2/[C@@]41[H])[C@@]37[H]
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
Application(s): muscle relaxant
A drug used to produce muscle relaxation (excepting neuromuscular blocking agents). Its primary clinical and therapeutic use is the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. Also used for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in multiple sclerosis.
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ChEBI Ontology
Outgoing alcuronium (CHEBI:55313) has role muscle relaxant (CHEBI:51371)
alcuronium (CHEBI:55313) is a indole alkaloid (CHEBI:38958)
Incoming alcuronium bromide (CHEBI:488385) has part alcuronium (CHEBI:55313)
alcuronium chloride (CHEBI:31185) has part alcuronium (CHEBI:55313)
Synonyms Sources
4,4'-Didemethyl-4,4'-di-2-propenyl-toxiferine I (9CI) ChemIDplus
Alcuronum ChemIDplus
Alloferine ChemIDplus
Diallylbis(nortoxiferine) ChemIDplus
Diallylnortoxiferine ChemIDplus
Diallyltoxiferine ChemIDplus
N,N'-diallyl-bis-nor-toxiferine ChEBI
N,N'-Diallylnortoxiferinium ChemIDplus
Registry Numbers Types Sources
23214-96-2 CAS Registry Number ChemIDplus
4101239 Beilstein Registry Number Beilstein
4101239 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12039641 PubMed citation Europe PMC
6196640 PubMed citation Europe PMC
7818127 PubMed citation Europe PMC
Last Modified
22 February 2017