Itraconazole, 98%, Thermo Scientific™

Brand:  Thermo Scientific Alfa Aesar J66390.06

Product Code. 15497729

Description

This Thermo Scientific brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific.

Applications
Itraconazole is a triazole antifungal agent. It is used to inhibit cytochrome P-450-dependent enzymes and ergosterol synthesis. It has been used against histoplasmosis, blastomycosis, cryptococcal meningitis, and aspergillosis. It′s different formulations are used to study Candida strains in murine invasive infections. It has been used to study proliferative changes of the forestomach mucosa in alloxan-induced diabetic rats..

Solubility
Insoluble in water. Solube in chloroform at 50 mg/ml. Slightly soluble in ethanol or methanol

Notes
Research Use only: Not intended for animal or human diagnostic or therapeutic use.

Chemical Identifiers

• CAS: 84625-61-6
• Molecular Weight (g/mol): 705.64
• InChI Key: VHVPQPYKVGDNFY-ZPGVKDDISA-N
• PubChem CID: 45039617
• SMILES: CCC(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1

• Molecular Formula: C35H38Cl2N8O4
• MDL Number: MFCD00870168,MFCD00941396
• Synonym: Oriconazole; R51211
• IUPAC Name: 1-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-4,5-dihydro-1H-1,2,4-triazol-5-one

Specifications

• CAS: 84625-61-6
• Quantity: 5g
• Molecular Formula: C35H38Cl2N8O4
• Merck Index: 14,5245
• Solubility Information: Insoluble in water; Solube in chloroform at 50mg/ml; Slightly soluble in ethanol or methanol
• SMILES: CCC(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1
• Molecular Weight (g/mol): 705.64
• Formula Weight: 705.63
• Chemical Name or Material: Itraconazole

• Color: White
• Flash Point: >110°C (230°F)
• MDL Number: MFCD00870168,MFCD00941396
• Synonym: Oriconazole; R51211
• InChI Key: VHVPQPYKVGDNFY-ZPGVKDDISA-N
• IUPAC Name: 1-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-4,5-dihydro-1H-1,2,4-triazol-5-one
• PubChem CID: 45039617
• Percent Purity: 98%