CID 20057045

Base Information

• Chemical Name: CID 20057045
• CAS No.: 125-86-0
• Molecular Formula: C18H27NO2•1/2 C2H6O6S2
• Molecular Weight: 479.66
• Mol file: 125-86-0.mol

Synonyms:SCHEMBL158932

Chemical Property of CID 20057045

Chemical Property:

• Vapor Pressure: 2.35E-06mmHg at 25°C
• Melting Point: 115-116°
• Boiling Point: 392.1°Cat760mmHg
• Flash Point: 124.8°C
• PSA: 184.58000
• Density: g/cm³
• LogP: 7.69040
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 479.16475936
• Heavy Atom Count: 31
• Complexity: 552

Purity/Quality:

99%, ^*data from raw suppliers

Bis[1-(carbo-β-diethylaminoethoxy)-1-phenylcyclopentane]ethanedisulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=CC=C2.C(CS(=O)(=O)O)S(=O)(=O)O
• Uses: Bis[1-(carbo-β-diethylaminoethoxy)-1-phenylcyclopentane]ethanedisulfonate is an anticholinergic and antiglutamatergic drug, which has also found use as an antidote against oragnophosphate poisoning.
• Therapeutic Function: Antitussive