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CHEBI:3241 - butoconazole nitrate
| Formula | C19H17Cl3N2S.HNO3 |
| Net Charge | 0 |
| Average Mass | 474.797 |
| Monoisotopic Mass | 473.01345 |
| SMILES | Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1.O=[N+]([O-])O |
| 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) |
| InChIKey | ZHPWRQIPPNZNML-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Roles: | antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. ergosterol biosynthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. ergosterol biosynthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. |
| Applications: | antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| butoconazole nitrate (CHEBI:3241) has part butoconazole(1+) (CHEBI:61263) |
| butoconazole nitrate (CHEBI:3241) is a aryl sulfide (CHEBI:35683) |
| butoconazole nitrate (CHEBI:3241) is a conazole antifungal drug (CHEBI:87071) |
| butoconazole nitrate (CHEBI:3241) is a imidazole antifungal drug (CHEBI:87069) |
| butoconazole nitrate (CHEBI:3241) is a imidazoles (CHEBI:24780) |
| butoconazole nitrate (CHEBI:3241) is a organic nitrate salt (CHEBI:51085) |
| Incoming Relation(s) |
| (R)-butoconazole nitrate (CHEBI:59289) is a butoconazole nitrate (CHEBI:3241) |
| (S)-butoconazole nitrate (CHEBI:59290) is a butoconazole nitrate (CHEBI:3241) |
| IUPAC Name |
|---|
| 1-{4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole nitrate |
| Synonyms | Source |
|---|---|
| Butoconazole nitrate | KEGG COMPOUND |
| (±)-1-(4-(4-chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)-1H-imidazole mononitrate | ChemIDplus |
| (±)-1-(4-(p-chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)imidazole mononitrate | ChemIDplus |
| nitrato de butoconazol | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Beilstein:6366645 | Beilstein |
| CAS:64872-77-1 | KEGG COMPOUND |
| CAS:64872-77-1 | ChemIDplus |