Gamabufotalin

Base Information

• Chemical Name: Gamabufotalin
• CAS No.: 465-11-2
• Molecular Formula: C24H34O5
• Molecular Weight: 402.5238
• NSC Number: 90384
• UNII: 5HH3KM165O
• DSSTox Substance ID: DTXSID40878664
• Nikkaji Number: J12.056A
• Wikidata: Q27149869
• Metabolomics Workbench ID: 121113
• ChEMBL ID: CHEMBL465318
• Mol file: 465-11-2.mol

Synonyms:gamabufotalin

Chemical Property of Gamabufotalin

Chemical Property:

• Vapor Pressure: 1.12E-16mmHg at 25°C
• Melting Point: 254°
• Refractive Index: 1.612
• Boiling Point: 595.8 °C at 760 mmHg
• PKA: 14.52±0.70(Predicted)
• Flash Point: 203.4 °C
• PSA: 90.90000
• Density: 1.289 g/cm³
• LogP: 3.21270
• XLogP3: 2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 402.24062418
• Heavy Atom Count: 29
• Complexity: 773

Purity/Quality:

98%,99%, ^*data from raw suppliers

Gamabufotalin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1CCC3C2C(CC4(C3(CCC4C5=COC(=O)C=C5)O)C)O)O
• Isomeric SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2[C@@H](C[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O