Isoconazole nitrateProduct ingredient for Isoconazole
- Name
- Isoconazole nitrate
- Drug Entry
- Isoconazole
Isoconazole is an azole antifungal drug that has similar effectiveness to clotrimazole in the treatment of foot and vaginal infections.
- Accession Number
- DBSALT003000
- Structure
Structure for Isoconazole nitrate (DBSALT003000)
- Synonyms
- Isoconazole nitrate
- External IDs
- R 15,454
- UNII
- 5AS8P3N30X
- CAS Number
- 24168-96-5
- Weight
- Average: 479.14
Monoisotopic: 476.9816668 - Chemical Formula
- C18H15Cl4N3O4
- InChI Key
- NNGQLSIGRSTLLU-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H14Cl4N2O.HNO3/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)
- IUPAC Name
- 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-1H-imidazole; nitric acid
- SMILES
- O[N+]([O-])=O.ClC1=CC=C(C(CN2C=CN=C2)OCC2=C(Cl)C=CC=C2Cl)C(Cl)=C1
- External Links
- ChemSpider
- 140632
- Predicted Properties
Property Value Source Water Solubility 0.000825 mg/mL ALOGPS logP 5.23 ALOGPS logP 5.96 Chemaxon logS -5.7 ALOGPS pKa (Strongest Basic) 6.48 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 27.05 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 103.07 m3·mol-1 Chemaxon Polarizability 38.92 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon