Butoconazole nitrateProduct ingredient for Butoconazole
- Name
- Butoconazole nitrate
- Drug Entry
- Butoconazole
Butoconazole is an imidazole antifungal used in gynecology.
- Accession Number
- DBSALT001012
- Structure
Structure for Butoconazole nitrate (DBSALT001012)
- Synonyms
- Not Available
- UNII
- 4805237NP5
- CAS Number
- 64872-77-1
- Weight
- Average: 474.78
Monoisotopic: 473.0134457 - Chemical Formula
- C19H18Cl3N3O3S
- InChI Key
- ZHPWRQIPPNZNML-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H17Cl3N2S.HNO3/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22;2-1(3)4/h1-5,7-8,10-11,13,16H,6,9,12H2;(H,2,3,4)
- IUPAC Name
- 1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl]-1H-imidazole; nitric acid
- SMILES
- ON(=O)=O.ClC1=CC=C(CCC(CN2C=CN=C2)SC2=C(Cl)C=CC=C2Cl)C=C1
- External Links
- KEGG Compound
- C08066
- ChemSpider
- 43191
- ChEBI
- 3241
- ChEMBL
- CHEMBL1200398
- Wikipedia
- Butoconazole
- Predicted Properties
Property Value Source Water Solubility 0.000818 mg/mL ALOGPS logP 6.7 ALOGPS logP 6.55 Chemaxon logS -5.7 ALOGPS pKa (Strongest Basic) 6.78 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 17.82 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 108.99 m3·mol-1 Chemaxon Polarizability 41.14 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