Coldephnine

Base Information

• Chemical Name: Coldephnine
• CAS No.: 7633-69-4
• Molecular Formula: C25H39NO6
• Molecular Weight: 449.5803
• European Community (EC) Number: 231-562-7
• ChEMBL ID: CHEMBL1242535
• Mol file: 7633-69-4.mol

Synonyms:CONDELPHINE;Coldephnine;Kondelfin;7633-69-4;CHEMBL1242535

Chemical Property of Coldephnine

Chemical Property:

• Vapor Pressure: 7.25E-15mmHg at 25°C
• Melting Point: 158～159℃
• Boiling Point: 559.9°Cat760mmHg
• Flash Point: 292.4°C
• PSA: 88.46000
• Density: 1.29g/cm³
• LogP: 1.38580
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 449.27773796
• Heavy Atom Count: 32
• Complexity: 807

Purity/Quality:

99%, ^*data from raw suppliers

Condelphine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6OC(=O)C)OC)O)O)COC
• Isomeric SMILES: CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC(=O)C)OC)O)O)COC
• Uses: Condelphine is a nicotinic acetylcholine (ACh) receptor antagonist; Aconitine-type norditerpenoid alkaloid.