Oxayohimban-16-carboxylic acid, 16,17-didehydro-10-methoxy-19-methyl-, hydrazide, (19-alpha)-

Base Information

• Chemical Name: Oxayohimban-16-carboxylic acid, 16,17-didehydro-10-methoxy-19-methyl-, hydrazide, (19-alpha)-
• CAS No.: 72407-38-6
• Molecular Formula: C21H26 N4 O3
• Molecular Weight: 382.46
• DSSTox Substance ID: DTXSID40222704
• Wikidata: Q76155306
• Mol file: 72407-38-6.mol

Synonyms:10-Methoxy raubasinique acide hydrazide [French];10-Methoxy raubasinique acide hydrazide;Oxayohimban-16-carboxylic acid, 16,17-didehydro-10-methoxy-19-methyl-, hydrazide, (19-alpha)-;72407-38-6;(19-alpha)-16,17-Didehydro-10-methoxy-19-methyloxayohimban-16-carboxylic acid hydrazide;SCHEMBL17088368;DTXSID40222704;LS-99749

Chemical Property of Oxayohimban-16-carboxylic acid, 16,17-didehydro-10-methoxy-19-methyl-, hydrazide, (19-alpha)-

Chemical Property:

• PSA: 96.10000
• Density: 1.36g/cm³
• LogP: 3.48280
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 382.20049070
• Heavy Atom Count: 28
• Complexity: 656

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)NN)NC5=C4C=C(C=C5)OC
• Isomeric SMILES: C[C@H]1[C@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)NN)NC5=C4C=C(C=C5)OC