Cilobamine mesylate

Base Information

• Chemical Name: Cilobamine mesylate
• CAS No.: 69429-85-2
• Molecular Formula: C18H27Cl2NO4S
• Molecular Weight: 424.38
• UNII: SZ83PVQ06I
• ChEMBL ID: CHEMBL2106470
• NCI Thesaurus Code: C78008
• Wikidata: Q27289479
• Mol file: 69429-85-2.mol

Synonyms:2-(3,4-dichlorophenyl)-3-((1-methylethyl)amino)bicyclo(2.2.2)octan-2-ol monomethanesulfonate;cilobamine;cilobamine mesylate;clobamine mesylate;MDL 81,182;MDL 81182;MDL-81,182;methanesulfonate salt, (cis)-isomer

Chemical Property of Cilobamine mesylate

Chemical Property:

• Vapor Pressure: 9.3E-09mmHg at 25°C
• Boiling Point: 446.6°C at 760 mmHg
• Flash Point: 223.9°C
• PSA: 95.01000
• LogP: 5.34330
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 423.1037849
• Heavy Atom Count: 26
• Complexity: 462

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NC1C2CCC(C1(C3=CC(=C(C=C3)Cl)Cl)O)CC2.CS(=O)(=O)O
• Isomeric SMILES: CC(C)N[C@@H]1C2CCC([C@]1(C3=CC(=C(C=C3)Cl)Cl)O)CC2.CS(=O)(=O)O