Emetine hydrochloride

Base Information

• Chemical Name: Emetine hydrochloride
• CAS No.: 83029-37-2
• Molecular Formula: C₂₉H₄₀N₂O₄*2ClH
• Molecular Weight: 553.569
• European Community (EC) Number: 206-259-8
• UN Number: 1544
• UNII: U52OG12P96
• DSSTox Substance ID: DTXSID7020558
• NCI Thesaurus Code: C29018
• ChEMBL ID: CHEMBL493439
• Mol file: 83029-37-2.mol

Synonyms:Dihydrochloride, Emetine;Emetine;Emetine Dihydrochloride;Emetine Hydrochloride;Hydrochloride, Emetine;Ipecine;Methylcephaeline

Chemical Property of Emetine hydrochloride

Chemical Property:

• Boiling Point: 600.3°Cat760mmHg
• Flash Point: 316.9°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 552.2521632
• Heavy Atom Count: 37
• Complexity: 679
• Transport DOT Label: Poison

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Cl.Cl
• Isomeric SMILES: CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC.Cl.Cl