Metocinium iodide

Base Information

• Chemical Name: Metocinium iodide
• CAS No.: 2424-71-7
• Molecular Formula: C19H24 N O3 . I
• Molecular Weight: 0
• UNII: R11SBP9F2B
• DSSTox Substance ID: DTXSID8046117
• Wikidata: Q4291947
• NCI Thesaurus Code: C66130
• ChEMBL ID: CHEMBL2105228
• Mol file: 2424-71-7.mol

Synonyms:2-((Cyclohexylhydroxyphenylacetyl)oxy)-N,N-diethyl-N-methylethanaminium;Atrenyl;Bromide, Oxyphenonium;Chloride, Oxyphenonium;Iodide, Oxyphenonium;Metacin;Methacin;Oxyphenon;Oxyphenonium;Oxyphenonium Bromide;Oxyphenonium Bromide, (+)-Isomer;Oxyphenonium Bromide, (+-)-Isomer;Oxyphenonium Bromide, (-)-Isomer;Oxyphenonium Chloride;Oxyphenonium Iodide;Oxyphenonium Iodide, (R)-Isomer;Oxyphenonium Iodide, (S)-Isomer;Oxyphenonium, (+-)-Isomer;Oxyphenonium, (R)-Isomer;Oxyphenonium, (S)-Isomer;Spastrex

Chemical Property of Metocinium iodide

Chemical Property:

• Melting Point: 195 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 46.53000
• Density: g/cm³
• LogP: -0.82410
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 441.08009
• Heavy Atom Count: 24
• Complexity: 359

Purity/Quality:

99% ^*data from raw suppliers

2-{[hydroxy(diphenyl)acetyl]oxy}-N,N,N-trimethylethanaminiumiodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[I-]