Finaconitine

Base Information

• Chemical Name: Finaconitine
• CAS No.: 81161-27-5
• Molecular Formula: C32H44 N2 O10
• Molecular Weight: 630.7257
• DSSTox Substance ID: DTXSID70331616
• Wikidata: Q27106635
• Metabolomics Workbench ID: 68907

Synonyms:Finaconitine;C08684;81161-27-5;[(1R,2R,3R,4S,5R,6S,8S,9R,13S,16S,17R)-11-ethyl-2,3,8,9-tetrahydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-acetamidobenzoate;CHEBI:5061;DTXSID70331616;Q27106635

Chemical Property of Finaconitine

Chemical Property:

• Vapor Pressure: 1.92E-25mmHg at 25°C
• Boiling Point: 777.5°C at 760 mmHg
• Flash Point: 424°C
• PSA: 170.74000
• Density: 1.42g/cm³
• LogP: 1.28640
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 630.31524567
• Heavy Atom Count: 45
• Complexity: 1240

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CC2(CCC(C34C2CC(C31)(C5(CC(C6CC4(C5(C6OC)O)O)OC)O)O)OC)COC(=O)C7=CC=CC=C7NC(=O)C
• Isomeric SMILES: CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@]4([C@@]5([C@H]6OC)O)O)OC)O)O)OC)COC(=O)C7=CC=CC=C7NC(=O)C

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