API reference
Itraconazole
- CAS number
- 84625-61-6
- Molecular formula
- C35H38Cl2N8O4
- Molecular weight
- 705.6 g/mol
About this molecule
Itraconazole is an N-arylpiperazine that is cis-ketoconazole in which the imidazol-1-yl group is replaced by a 1,2,4-triazol-1-yl group and in which the actyl group attached to the piperazine moiety is replaced by a p-[(+-)1-sec-butyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl group. A potent P-glycoprotein and CYP3A4 inhibitor, it is used as an antifungal drug for the treatment of various fungal infections, including aspergillosis, blastomycosis, candidiasis, chromoblastomycosis, coccidioidomycosis, cryptococcosis, histoplasmosis, and sporotrichosis. It has a role as a Hedgehog signaling pathway inhibitor, a P450 inhibitor and an EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor. It is a dichlorobenzene, an aromatic ether, a member of triazoles, a dioxolane, a N-arylpiperazine, a cyclic ketal, a conazole antifungal drug and a triazole antifungal drug.
Source: ChEBI, via PubChem.
Identifiers
- IUPAC name
- 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
- InChIKey
- VHVPQPYKVGDNFY-ZPGVKDDISA-N
- SMILES
- CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5CO[C@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl
- Other CAS numbers recorded
- 873066-43-4 · 84604-65-9
- PubChem CID
- 55283
Also known as
itraconazole · Oriconazole · Sporanox · Itraconazol · Canditral · Sporonox · Traconal · Triasporin
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