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CHEBI:85977 - isavuconazonium sulfate
| Formula | C35H35F2N8O5S.HO4S |
| Net Charge | 0 |
| Average Mass | 814.850 |
| Monoisotopic Mass | 814.20147 |
| SMILES | CNCC(=O)OCc1cccnc1N(C)C(=O)OC(C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1.O=S(=O)([O-])O |
| InChI | InChI=1S/C35H35F2N8O5S.H2O4S/c1-22(33-42-30(18-51-33)25-9-7-24(15-38)8-10-25)35(48,28-14-27(36)11-12-29(28)37)19-45-21-44(20-41-45)23(2)50-34(47)43(4)32-26(6-5-13-40-32)17-49-31(46)16-39-3;1-5(2,3)4/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1/t22-,23?,35+;/m0./s1 |
| InChIKey | LWXUIUUOMSMZKJ-KLFWAVJMSA-M |
| Wikipedia |
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| Roles Classification |
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| Biological Roles: | ergosterol biosynthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol. EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of EC 1.14.13.70 (sterol 14α-demethylase). 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 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. 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. |
| Applications: | prodrug A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug. orphan drug Any drug that has been developed specifically for treatment of a rare medical condition, the condition itself being known as an orphan disease. 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) |
| isavuconazonium sulfate (CHEBI:85977) has part isavuconazonium (CHEBI:85978) |
| isavuconazonium sulfate (CHEBI:85977) has role EC 1.14.13.70 (sterol 14α-demethylase) inhibitor (CHEBI:77884) |
| isavuconazonium sulfate (CHEBI:85977) has role ergosterol biosynthesis inhibitor (CHEBI:75282) |
| isavuconazonium sulfate (CHEBI:85977) has role orphan drug (CHEBI:71031) |
| isavuconazonium sulfate (CHEBI:85977) has role prodrug (CHEBI:50266) |
| isavuconazonium sulfate (CHEBI:85977) is a azaheterocycle sulfate salt (CHEBI:38017) |
| isavuconazonium sulfate (CHEBI:85977) is a conazole antifungal drug (CHEBI:87071) |
| isavuconazonium sulfate (CHEBI:85977) is a triazole antifungal drug (CHEBI:87101) |
| IUPAC Name |
|---|
| (2-{[(1-{1-[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1H-1,2,4-triazol-4-ium-4-yl}ethoxy)carbonyl](methyl)amino}pyridin-3-yl)methyl N-methylglycinate hydrogen sulfate |
| Synonym | Source |
|---|---|
| BAL-8557-002 | ChemIDplus |
| Brand Name | Source |
|---|---|
| Cresemba | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| Isavuconazole | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| CAS:946075-13-4 | ChemIDplus |
| Citations |
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