Buxabenzacine

Base Information

• Chemical Name: Buxabenzacine
• CAS No.: 128741-20-8
• Molecular Formula: C36H54 N2 O4
• Molecular Weight: 578.825
• DSSTox Substance ID: DTXSID40926194
• Mol file: 128741-20-8.mol

Synonyms:Buxabenzacine;128741-20-8;( )-Buxabenzacine;(+)-Buxabenzacine;DTXSID40926194;3-[Benzoyl(methyl)amino]-20-(dimethylamino)-4-(hydroxymethyl)-4,14-dimethyl-9,19-cyclo-9,10-secopregn-1(10)-en-16-yl acetate;Benzamide, N-((3beta,4alpha,5alpha,16alpha,20S)-16-(acetyloxy)-20-dimethylamino)-4-(hydroxymethyl)-4,14-dimethyl-B(9a)-homo-19-norpregn-1(10)-en-3-yl)-N-methyl-

Chemical Property of Buxabenzacine

Chemical Property:

• Vapor Pressure: 4.21E-18mmHg at 25°C
• Boiling Point: 656°C at 760 mmHg
• Flash Point: 350.5°C
• Density: 1.13g/cm³
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 578.40835821
• Heavy Atom Count: 42
• Complexity: 1050

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1C(CC2(C1(CCC3C2CCC4C(=CCC(C4(C)CO)N(C)C(=O)C5=CC=CC=C5)C3)C)C)OC(=O)C)N(C)C
• Isomeric SMILES: C[C@@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC[C@H]3[C@H]2CC[C@@H]4C(=CC[C@@H]([C@@]4(C)CO)N(C)C(=O)C5=CC=CC=C5)C3)C)C)OC(=O)C)N(C)C