Etozolin

Base Information

• Chemical Name: Etozolin
• CAS No.: 67432-21-7
• Molecular Formula: C13H20N2O3S
• Molecular Weight: 284.379
• European Community (EC) Number: 266-691-8,200-794-0
• UNII: UEO8UW9V1Z
• DSSTox Substance ID: DTXSID701123834
• Nikkaji Number: J5.256F,J310.250E
• Wikipedia: Etozolin
• NCI Thesaurus Code: C65600
• Metabolomics Workbench ID: 152056
• ChEMBL ID: CHEMBL330829
• Mol file: 67432-21-7.mol

Synonyms:Elkapin;etozolin;etozolin monohydrochloride;Go-687

Chemical Property of Etozolin

Chemical Property:

• Vapor Pressure: 2.86E-08mmHg at 25°C
• Boiling Point: 449.4°Cat760mmHg
• Flash Point: 225.6°C
• PSA: 75.15000
• Density: 1.288g/cm³
• LogP: 1.28390
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 284.11946368
• Heavy Atom Count: 19
• Complexity: 391

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C=C1N(C(=O)C(S1)N2CCCCC2)C
• Isomeric SMILES: CCOC(=O)/C=C\1/N(C(=O)C(S1)N2CCCCC2)C

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