alpha-Amanitine

Base Information

• Chemical Name: alpha-Amanitine
• CAS No.: 23109-05-9
• Molecular Formula: C39H54N10O14S
• Molecular Weight: 918.97
• Hs Code.: 2934999090
• European Community (EC) Number: 245-432-2
• DSSTox Substance ID: DTXSID1036709
• Metabolomics Workbench ID: 52184
• Wikipedia: %CE%91-Amanitin
• Mol file: 23109-05-9.mol

Synonyms:Alpha Amanitin;Alpha Amanitine;Alpha-Amanitin;Alpha-Amanitine

Chemical Property of alpha-Amanitine

Chemical Property:

• Appearance/Colour: white to light yellow powder
• Melting Point: 254-255 °C (lit.)
• Refractive Index: 1.7400 (estimate)
• Boiling Point: 1622.182 °C at 760 mmHg
• PKA: 9.63±0.70(Predicted)
• Flash Point: 934.862 °C
• PSA: 400.09000
• Density: 1.572 g/cm³
• LogP: -2.25720
• Storage Temp.: −20°C
• Solubility.: H2O: 1.0 mg/mL
• XLogP3: -4.4
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 7
• Exact Mass: 918.35416761
• Heavy Atom Count: 64
• Complexity: 1840

Purity/Quality:

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

α-Amanitin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 26/27/28-33-26/28
• Safety Statements: 36/37/39-45-36/37-28

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)N)O)C(C)C(CO)O)C5=C(N3)C=C(C=C5)O
• Isomeric SMILES: CCC(C)[C@H]1C(=O)NCC(=O)N[C@H]2C[S@@](=O)C3=C(C[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]4CC(CN4C(=O)[C@@H](NC2=O)CC(=O)N)O)C(C)[C@H](CO)O)C5=C(N3)C=C(C=C5)O
• Uses: α-Amanitin has been used:for inducing transcriptional arrest in NT2 cells prior to immunofluorescence assayto induce nephrotoxicity in mice renal tissuesto induce and analyse genotoxicity in mice bone marrow cells by cell viability assay, comet assay and chromosomal aberration assay