Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, (19-alpha)-

Base Information

• Chemical Name: Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, (19-alpha)-
• CAS No.: 72442-34-3
• Molecular Formula: C23H28 N4 O4
• Molecular Weight: 424.4928
• DSSTox Substance ID: DTXSID00222740
• Wikidata: Q83101058
• Mol file: 72442-34-3.mol

Synonyms:Raubasinique acide N'-(ethoxycarbonyl)hydrazide [French];72442-34-3;Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, (19-alpha)-;Raubasinique acide N'-(ethoxycarbonyl)hydrazide;SCHEMBL17088387;DTXSID00222740;LS-99756

Chemical Property of Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, 2-(ethoxycarbonyl)hydrazide, (19-alpha)-

Chemical Property:

• Density: 1.34g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 424.21105539
• Heavy Atom Count: 31
• Complexity: 743

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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