loading...| Preferred Name | itraconazole | |
| Synonyms |
C35H38Cl2N8O4 Itrizole (TN) Sporanox (TN) InChIKey=VHVPQPYKVGDNFY-ZPGVKDDISA-N Oriconazole CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1 2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one Itraconazole |
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| Definitions |
A dioxolane that has formula C35H38Cl2N8O4. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_6076 |
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| database_cross_reference |
KEGG DRUG:D00350 ChemIDplus:84625-61-6 ChEMBL:17194821 Wikipedia:Itraconazole KEGG DRUG:84625-61-6 DrugBank:DB01167 |
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| has_exact_synonym |
2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one Itraconazole |
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| has_obo_namespace |
chebi_ontology |
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| has_related_synonym |
C35H38Cl2N8O4 Itrizole (TN) Sporanox (TN) InChIKey=VHVPQPYKVGDNFY-ZPGVKDDISA-N Oriconazole CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1 |
|
| id |
CHEBI:6076 |
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| imported from | ||
| label |
itraconazole |
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| notation |
CHEBI:6076 |
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| prefLabel |
itraconazole |
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| textual definition |
A dioxolane that has formula C35H38Cl2N8O4. |
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| subClassOf |