Itraconazole

About This Item

Molecular Formula	C₃₅H₃₈Cl₂N₈O₄
CAS Number	84625-61-6

FC-0030340

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Properties

Chemical 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
SMILES	CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl
InChI Key	VHVPQPYKVGDNFY-ZPGVKDDISA-N
InChI	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

Physical Properties

Boiling Point	850.0±75.0 °C at 760 mmHg
Melting Point	166.2°C
Flash Point	467.9±37.1 °C
Density	1.4±0.1 g/cm3

Safety Information

Hazard Class

Warning

Flash Point

467.9±37.1 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.