Cevadin

Base Information

• Chemical Name: Cevadin
• CAS No.: 8051-02-3
• Molecular Formula: C36H51NO11
• Molecular Weight: 673.8
• European Community (EC) Number: 617-100-0
• Mol file: 8051-02-3.mol

Synonyms:Cevadine;Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, 3-(2-methyl-2-butenoate), (3beta(Z),4alpha,16beta)-;Veratrine

Chemical Property of Cevadin

Chemical Property:

• Melting Point: 130°C
• Boiling Point: 668.2oCat 760
• PKA: pK1:8.85(+1) (25°C)
• Flash Point: 357.9oC
• PSA: 150.92000
• Density: 1.37g/cm3
• LogP: 0.50230
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 591.34073214
• Heavy Atom Count: 42
• Complexity: 1230

Purity/Quality:

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC1CCC2(C3C1(OC24CC5(C6CN7CC(CCC7C(C6(C(CC5(C4CC3)O)O)O)(C)O)C)O)O)C
• Isomeric SMILES: C/C=C(\C)/C(=O)OC1CCC2(C3C1(OC24CC5(C6CN7CC(CCC7C(C6(C(CC5(C4CC3)O)O)O)(C)O)C)O)O)C