Serpentinine

Base Information

• Chemical Name: Serpentinine
• CAS No.: 36519-42-3
• Molecular Formula: C42H45N4O5+
• Molecular Weight: 685.83
• Mol file: 36519-42-3.mol

Synonyms:Serpentinine;36519-42-3;NSC72123;NSC 72123;AKOS032948578;Oxayohimbanium, 3,4,5,6,16,17-hexadehydro-6-((16S,19E)-19,20-didehydro-16-(methoxycarbonyl)corynan-17-yl)-16-(methoxycarbonyl)-19-methyl-, (19alpha)-

Chemical Property of Serpentinine

Chemical Property:

• Melting Point: 265-270 °C (decomp)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 97.63000
• Density: g/cm³
• LogP: 5.81830
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 685.33899555
• Heavy Atom Count: 51
• Complexity: 1400

Purity/Quality:

98%min ^*data from raw suppliers

Serpentinine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C1CN2CCC3=C(C2CC1C(CC4=C[N+]5=C(CC6C(C5)C(OC=C6C(=O)OC)C)C7=C4C8=CC=CC=C8N7)C(=O)OC)NC9=CC=CC=C39
• Isomeric SMILES: C/C=C/1\CN2CCC3=C(C2CC1C(CC4=C[N+]5=C(CC6C(C5)C(OC=C6C(=O)OC)C)C7=C4C8=CC=CC=C8N7)C(=O)OC)NC9=CC=CC=C39
• Description: Also present in Rauwolfia serpentina Benth, this base was originally given the empirical formula C20H2005N2, later shown to be dimeric. It yields a hydrochloride, m.p. 27l-2°C (dec.);[α]34D + 166.93° (H20); aurichloride, m.p. 194-5°C (dec.) and a picrate, m.p. 263-4°C.