Toxiferine

Base Information

• Chemical Name: Toxiferine
• CAS No.: 302-30-7
• Molecular Formula: C40H46 N4 O2
• Molecular Weight: 614.83
• UNII: 9M7D9K3OJI
• ChEMBL ID: CHEMBL1184078
• DSSTox Substance ID: DTXSID30897243
• Wikidata: Q392418
• Wikipedia: Toxiferine
• Mol file: 302-30-7.mol

Synonyms:Toxiferine

Chemical Property of Toxiferine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 46.94000
• Density: g/cm³
• LogP: 4.41080
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 614.36207672
• Heavy Atom Count: 46
• Complexity: 1390

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]12CCC34C1CC(C(=CCO)C2)C5=CN6C7C(=CN(C53)C8=CC=CC=C48)C9CC1C7(CC[N+]1(CC9=CCO)C)C1=CC=CC=C16
• Isomeric SMILES: C[N@@+]12[C@@H]3[C@]4(C5=CC=CC=C5N/6[C@H]4/C(=C\N7[C@H]8/C(=C6)/[C@@H]9/C(=C\CO)/C[N@+]4([C@H]([C@]8(C5=CC=CC=C75)CC4)C9)C)/[C@@H](C3)/C(=C\CO)/C1)CC2