CID 53421093

Base Information

• Chemical Name: CID 53421093
• CAS No.: 175729-69-8
• Molecular Formula: C18H23 Cl N4 O
• Molecular Weight: 383.32
• DSSTox Substance ID: DTXSID60697733
• Mol file: 175729-69-8.mol

Synonyms:175729-69-8;DTXSID60697733;N-(1-Azabicyclo[2.2.2]octan-3-yl)-6-chloro-1-(propan-2-yl)-1H-benzimidazole-4-carboxamide--hydrogen chloride (1/2);N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-1-propan-2-ylbenzimidazole-4-carboxamide;dihydrochloride

Chemical Property of CID 53421093

Chemical Property:

• Vapor Pressure: 1.16E-13mmHg at 25°C
• Boiling Point: 578.1°Cat760mmHg
• Flash Point: 303.4°C
• PSA: 50.16000
• Density: g/cm³
• LogP: 5.02740
• Storage Temp.: Store at RT
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 418.109395
• Heavy Atom Count: 26
• Complexity: 480

Purity/Quality:

98%Min ^*data from raw suppliers

RS16566dihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1C=NC2=C(C=C(C=C21)Cl)C(=O)NC3CN4CCC3CC4.Cl.Cl
• Uses: RS 16566 dihydrochloride is a high affinity ligand for the (R)-zacopride binding site.

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