O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester

Base Information

• Chemical Name: O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester
• CAS No.: 156589-30-9
• Molecular Formula: C34H50 N4 O8
• Molecular Weight: 642.7828
• DSSTox Substance ID: DTXSID30166103
• Nikkaji Number: J691.029G
• Wikidata: Q83035349

Synonyms:O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester;156589-30-9;1H-Imidazole-5-butanoic acid, beta-(((cyclobutylcarbonyl)oxy)methyl)-alpha-ethyl-1-methyl-, 1,2-ethanediyl ester, (alphaS-(alphaR*(alpha'R*,beta'S*),betaS*))-;DTXSID30166103;C34H50N4O8;C34-H50-N4-O8;Bis[(alphaS,betaR)-beta-(cyclobutylcarbonyloxymethyl)-alpha-ethyl-1-methyl-1H-imidazole-5-butanoic acid]ethylene ester

Chemical Property of O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester

Chemical Property:

• Vapor Pressure: 2.34E-24mmHg at 25°C
• Boiling Point: 781.2°Cat760mmHg
• Flash Point: 426.3°C
• Density: 1.26g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 23
• Exact Mass: 642.36286457
• Heavy Atom Count: 46
• Complexity: 928

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(CC1=CN=CN1C)COC(=O)C2CCC2)C(=O)OCCOC(=O)C(CC)C(CC3=CN=CN3C)COC(=O)C4CCC4
• Isomeric SMILES: CC[C@@H]([C@@H](CC1=CN=CN1C)COC(=O)C2CCC2)C(=O)OCCOC(=O)[C@@H](CC)[C@@H](CC3=CN=CN3C)COC(=O)C4CCC4

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