Dazoxiben hydrochlorideProduct ingredient for Dazoxiben
- Name
- Dazoxiben hydrochloride
- Drug Entry
- Dazoxiben
- Accession Number
- DBSALT002937
- Structure
Structure for Dazoxiben hydrochloride (DBSALT002937)
- Synonyms
- Dazoxiben HCl / Dazoxiben hydrochloride
- External IDs
- UK-37,248-01
- UNII
- G5AI939LWF
- CAS Number
- 74226-22-5
- Weight
- Average: 268.7
Monoisotopic: 268.06147 - Chemical Formula
- C12H13ClN2O3
- InChI Key
- PVKDFUXBDJPRGU-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H12N2O3.ClH/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14;/h1-6,9H,7-8H2,(H,15,16);1H
- IUPAC Name
- 4-[2-(1H-imidazol-1-yl)ethoxy]benzoic acid hydrochloride
- SMILES
- Cl.OC(=O)C1=CC=C(OCCN2C=CN=C2)C=C1
- External Links
- ChemSpider
- 47884
- ChEMBL
- CHEMBL537708
- Predicted Properties
Property Value Source Water Solubility 1.28 mg/mL ALOGPS logP 1.44 ALOGPS logP 0.61 Chemaxon logS -2.3 ALOGPS pKa (Strongest Acidic) 4.36 Chemaxon pKa (Strongest Basic) 6.49 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 64.35 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 61.72 m3·mol-1 Chemaxon Polarizability 23.31 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon