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CAS No 84625-61-6 , Itraconazole

  • Name: Itraconazole
  • Synonyms: Sporanox; sporanox; oriconazole; Oriconazole;2-Butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl methyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;Itraconazole;2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl methyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one;
  • CAS Registry Number:
  • Melting Point: 166 ºC
  • Flash Point: 467.9 ºC
  • Boiling Point: 850 ºC at 760 mmHg
  • Density: 1.4 g/cm3
  • Water Solubility: chloroform: 50 mg/mL, clear, colorless
  • Safety Statements: R36/37/38
  • Hazard Symbols: Xi: Irritant;
  • Flash Point: 467.9 ºC
  • Molecular Weight: 705.63
  • InChI: InChI=1/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
  • Risk Statements: S22;S26;S36
  • Molecular Formula: C35H38Cl2N8O4
  • Molecular Structure:CAS No:84625-61-6 Itraconazole

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References of Itraconazole
Title: Itraconazole
CAS Registry Number: 84625-61-6
CAS Name: 4-[4-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one
Synonyms: (±)-1-sec-butyl-4-[p-[4-[p-[[(2R*,4S*)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-D2-1,2,4-triazolin-5-one; oriconazole
Manufacturers' Codes: R-51211
Trademarks: Itrizole (Janssen); Sporanox (Janssen); Triasporin (Lifepharma)
Molecular Formula: C35H38Cl2N8O4
Molecular Weight: 705.63
Percent Composition: C 59.57%, H 5.43%, Cl 10.05%, N 15.88%, O 9.07%
Literature References: Orally active antimycotic structurally related to ketoconazole, q.v. Prepn: J. Heeres, L. J. J. Backx, EP 6711; eidem, US 4267179 (1980, 1981 both to Janssen); J. Heeres et al., J. Med. Chem. 27, 894 (1984). In vitro activity: A. Espinel-Ingroff et al., Antimicrob. Agents Chemother. 26, 5 (1984). HPLC determn in biological samples: R. Woestenborghs et al., J. Chromatogr. 413, 332 (1987). Symposium on pharmacology and clinical efficacy: Rev. Infect. Dis. 9, Suppl 1, S1-S152 (1987). Toxicity data: H. Van Cauteren et al., ibid. S43. Review of clinical pharmacokinetics: J. Heykants et al., Mycoses 32, Suppl 1, 67-87 (1989); of clinical efficacy in dermatophytosis: P. De Doncker, G. Cauwenbergh, Br. J. Clin. Pract. Suppl. 71, 118-122 (1990). Review: A. M. Sugar, Curr. Clin. Top. Infect. Dis. 13, 74-98 (1993).
Properties: Crystals from toluene, mp 166.2°. pKa 3.7. Lipophilic; partition coefficient (n-octanol/aq buffer of pH 8.1): 5.66. Practically insol in water and dil acidic solns. LD50 (14 day) in mice, rats, dogs (mg/kg): >320, >320, >200 orally (Van Cauteren).
Melting point: mp 166.2°
pKa: pKa 3.7
Log P: partition coefficient (n-octanol/aq buffer of pH 8.1): 5.66
Toxicity data: LD50 (14 day) in mice, rats, dogs (mg/kg): >320, >320, >200 orally (Van Cauteren)
Therap-Cat: Antifungal.
Keywords: Antifungal (Synthetic); Triazoles.