Aranotina

Base Information

• Chemical Name: Aranotina
• CAS No.: 19885-51-9
• Molecular Formula: C₂₀H₁₈N₂O₇S₂
• Molecular Weight: 462.504
• UNII: H56CKB2FFV
• DSSTox Substance ID: DTXSID301043204
• Nikkaji Number: J12.821J
• Wikidata: Q27160157
• NCI Thesaurus Code: C81609
• Metabolomics Workbench ID: 102163
• ChEMBL ID: CHEMBL2104550
• Mol file: 19885-51-9.mol

Synonyms:aranotin

Chemical Property of Aranotina

Chemical Property:

• Vapor Pressure: 6.39E-34mmHg at 25°C
• Boiling Point: 853.6°C at 760 mmHg
• Flash Point: 470.1°C
• PSA: 156.21000
• Density: 1.72g/cm³
• LogP: 1.01340
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 462.05554326
• Heavy Atom Count: 31
• Complexity: 1040

Purity/Quality:

99% ^*data from raw suppliers

ARANOTIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1C=COC=C2C1N3C(=O)C45CC6=COC=CC(C6N4C(=O)C3(C2)SS5)O
• Isomeric SMILES: CC(=O)O[C@H]1C=COC=C2[C@@H]1N3C(=O)[C@]45CC6=COC=C[C@@H]([C@H]6N4C(=O)[C@@]3(C2)SS5)O
• Uses: Antiviral.

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