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CHEBI:64355 - posaconazole
| Formula | C37H42F2N8O4 |
| Net Charge | 0 |
| Average Mass | 700.791 |
| Monoisotopic Mass | 700.32971 |
| SMILES | CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O |
| InChI | InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1 |
| InChIKey | RAGOYPUPXAKGKH-XAKZXMRKSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. 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 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 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: | trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. 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) |
| posaconazole (CHEBI:64355) has role trypanocidal drug (CHEBI:36335) |
| posaconazole (CHEBI:64355) is a N-arylpiperazine (CHEBI:46848) |
| posaconazole (CHEBI:64355) is a aromatic ether (CHEBI:35618) |
| posaconazole (CHEBI:64355) is a conazole antifungal drug (CHEBI:87071) |
| posaconazole (CHEBI:64355) is a organofluorine compound (CHEBI:37143) |
| posaconazole (CHEBI:64355) is a oxolanes (CHEBI:26912) |
| posaconazole (CHEBI:64355) is a triazole antifungal drug (CHEBI:87101) |
| posaconazole (CHEBI:64355) is a triazoles (CHEBI:35727) |
| IUPAC Name |
|---|
| 2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({4-[4-(4-{1-[(2S,3S)-2-hydroxypentan-3-yl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenoxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol |
| INN | Source |
|---|---|
| posaconazole | KEGG DRUG |
| Synonyms | Source |
|---|---|
| SCH56592 | ChEBI |
| Sch 56592 | ChemIDplus |
| Schering 56592 | ChEBI |
| Brand Name | Source |
|---|---|
| Noxafil | DrugBank |
| UniProt Name | Source |
|---|---|
| posaconazole | UniProt |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8379448 | Reaxys |
| CAS:171228-49-2 | KEGG DRUG |
| CAS:171228-49-2 | ChemIDplus |
| Citations |
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