Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, butyl ester, monohydrochloride, (19-alpha)-

Base Information

• Chemical Name: Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, butyl ester, monohydrochloride, (19-alpha)-
• CAS No.: 79087-63-1
• Molecular Formula: C24H31ClN2O3
• Molecular Weight: 430.9675
• DSSTox Substance ID: DTXSID20229534

Synonyms:79087-63-1;Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, butyl ester, monohydrochloride, (19-alpha)-;DTXSID20229534;LS-99770

Chemical Property of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, butyl ester, monohydrochloride, (19-alpha)-

Chemical Property:

• Vapor Pressure: 2.88E-12mmHg at 25°C
• Boiling Point: 552.9°Cat760mmHg
• Flash Point: 288.2°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 430.2023205
• Heavy Atom Count: 30
• Complexity: 650

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C1=COC(C2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)C.Cl
• Isomeric SMILES: CCCCOC(=O)C1=CO[C@H]([C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)C.Cl

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