Dilazep

Base Information

• Chemical Name: Dilazep
• CAS No.: 35898-87-4
• Molecular Formula: C31H44 N2 O10
• Molecular Weight: 604.698
• European Community (EC) Number: 243-548-8
• UNII: F8KLC2BD5Z
• DSSTox Substance ID: DTXSID9045425
• Nikkaji Number: J19.442E
• Wikipedia: Dilazep
• Wikidata: Q5276700
• NCI Thesaurus Code: C65389
• Pharos Ligand ID: 8MCMX9T2K8J5
• Metabolomics Workbench ID: 154500
• ChEMBL ID: CHEMBL126075
• Mol file: 35898-87-4.mol

Synonyms:Asta C 4898;Biopropazepan Trimethoxybenzoate;C 4898, Asta;Cormelian;Dilazep;Trimethoxybenzoate, Biopropazepan

Chemical Property of Dilazep

Chemical Property:

• Boiling Point: 646°Cat760mmHg
• PKA: pKa 5.14±0.1 (H2O t=25.0±0.1 I=0.1 N2atmosphere) (Uncertain);8.25±0.08(H2O t=25.0±0.1 I=0.1 N2atmosphere) (Uncertain)
• Flash Point: 344.5°C
• PSA: 114.46000
• Density: 1.156g/cm³
• LogP: 3.41570
• Storage Temp.: 2-8°C
• Solubility.: H2O: 10 mg/mL
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 18
• Exact Mass: 604.29959560
• Heavy Atom Count: 43
• Complexity: 727

Purity/Quality:

98%Min ^*data from raw suppliers

Dilazep dihydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)OCCCN2CCCN(CC2)CCCOC(=O)C3=CC(=C(C(=C3)OC)OC)OC
• Uses: vasodilator, platelet aggregation inhibitor
• Therapeutic Function: Coronary vasodilator