Sodium aristolochate

Base Information

• Chemical Name: Sodium aristolochate
• CAS No.: 10190-99-5
• Molecular Formula: C17H11 N O7 . Na
• Molecular Weight: 363.27
• European Community (EC) Number: 233-463-4
• UNII: KTM3D3H78E
• DSSTox Substance ID: DTXSID3020099
• Wikidata: Q27282434
• ChEMBL ID: CHEMBL3187459
• Mol file: 10190-99-5.mol

Synonyms:8-methoxy-6-nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid;aristolochic acid;aristolochic acid A;aristolochic acid I;aristolochic acid I, sodium salt;sodium aristolochate;Tardolyt

Chemical Property of Sodium aristolochate

Chemical Property:

• Appearance/Colour: powder
• Vapor Pressure: 5.24E-16mmHg at 25°C
• Boiling Point: 615.5 °C at 760 mmHg
• Flash Point: 326 °C
• PSA: 113.64000
• Density: g/cm³
• LogP: 2.52520
• Storage Temp.: 2-8°C
• Solubility.: H2O: 50 mg/mL
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 363.03549594
• Heavy Atom Count: 26
• Complexity: 544

Purity/Quality:

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

Aristolocholic acid for system suitability European Pharmacopoeia (EP) Reference Standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Suspected carcinogen.
• Hazard Codes: T
• Statements: 23/24/25-40
• Safety Statements: 22-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)[O-].[Na+]