Itraconazole ITC (API) (CAS NO:84625-61-6)

Itraconazole is a triazole-class antifungal agent used to treat a variety of fungal infections by inhibiting the synthesis of ergosterol, an essential component of fungal cell membranes. It is effecti...

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Active Pharmaceutical Ingredients (APIs)

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Chemical Properties & Specifications

Canonical Smiles

CCC(C)N1C=NC(=O)N1C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5C(CO5)C6=CC(=C(C=C6)Cl)Cl

Inchi Key

XEFQLINVKFYRCS-UHFFFAOYSA-N

Inchi

1S/C35H38Cl2N8O4/c1-5-11-30-17-47-35(49-30)34(45-19-39-20-46-45)33(31(36)18-32(37)35)21-43-25-9-7-23(8-10-25)27-13-15-42(16-14-27)24-6-12-26(13)44-28(24)22-41-29(38)48-34/h6-12,19-20,30-31,33H,5,14-18,21-22H2,1-4H3

CAS Number

84625-61-6

Molecular Formula

C35H38Cl2N8O4

IUPAC

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

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