alcuronium

Ligand id: 341

Name: alcuronium

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 46.94
Molecular weight 666.39
XLogP 5.23
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(1S,9Z,11S,13S,17S,25Z,27S,33S,35S,38S)-28,37-bis(2-hydroxyethylidene)-14,30-bis(prop-2-en-1-yl)-8,14,24,30-tetraazaundecacyclo[25.5.2.2^{11,14}.1^{1,8}.1^{10,17}.0^{2,7}.0^{13,17}.0^{18,23}.0^{30,33}.0^{24,35}.0^{26,38}]octatriaconta-2,4,6,9,18,20,22,25-octaene-14,30-diium
International Nonproprietary Names
INN number INN
2166 alcuronium chloride
Database Links
CAS Registry No. 23214-96-2 (source: Scifinder)
ChEBI CHEBI:55313
PubChem CID 5311001
Search Google for chemical match using the InChIKey MUQUYTSLDVKIOF-NCQXAQDZSA-N
Search Google for chemicals with the same backbone MUQUYTSLDVKIOF
Search PubMed clinical trials alcuronium chloride
Search PubMed titles alcuronium chloride
Search PubMed titles/abstracts alcuronium chloride
Wikipedia Alcuronium_chloride
Comments
The INN-assigned compound is in complex with chloride. However, as our data is derived from use of the 'parent' compound rather than the complex, it is this structure we have chosen to display and to which the majority of the links in the table above refer to. There is some ambiguity as to the exact stereochemistry of alcuronium. CID 5360723 represents an alternative isomer.