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CAS No 64872-76-0 , 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole

  • Name: 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole
  • Synonyms: Butaconazole;1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole; Butoconazolum [INN-Latin]; Butoconazol; Femstat; Butoconazol [INN-Spanish]; Gynazole-1;Butoconazolum; Butoconazole [INN:BAN];
  • CAS Registry Number:
  • Density: 1.32 g/cm3
  • Molecular Weight: 411.77568
  • InchiKey: SWLMUYACZKCSHZ-UHFFFAOYSA-N
  • InChI: InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)
    25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2
  • Molecular Formula: C19H17Cl3N2S
  • Molecular Structure:CAS No:64872-76-0 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole

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References of 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole
Title: Butoconazole
CAS Registry Number: 64872-76-0
CAS Name: 1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-1H-imidazole
Molecular Formula: C19H17Cl3N2S
Molecular Weight: 411.78
Percent Composition: C 55.42%, H 4.16%, Cl 25.83%, N 6.80%, S 7.79%
Literature References: Imidazole derivative with antifungal properties. Prepn: K. A. M. Walker, US 4078071 (1978 to Syntex). Prepn, toxicity, activity vs Candida albicans in mice: K. A. M. Walker et al., J. Med. Chem. 21, 840 (1978). In vitro comparison with other antifungal agents: F. C. Odds et al., J. Antimicrob. Chemother. 14, 105 (1984). Clinical trials in treatment of vulvovaginal candidiasis: W. Droegemueller et al., Obstet. Gynecol. 64, 530 (1984); J. B. Jacobson et al., Acta Obstet. Gynecol. Scand. 64, 241 (1985). Comparison with miconazole, q.v.: C. S. Bradbeer et al., Genitourin. Med. 61, 270 (1985).
Properties: Crystals from cyclohexane, mp 68-70.5°.
Melting point: mp 68-70.5°
 
Derivative Type: Nitrate
CAS Registry Number: 64872-77-1
Manufacturers' Codes: RS-35887
Trademarks: Femstat (Syntex); Gynomyk (Cassenne)
Molecular Formula: C19H17Cl3N2S.HNO3
Molecular Weight: 474.79
Percent Composition: C 48.06%, H 3.82%, Cl 22.40%, N 8.85%, S 6.75%, O 10.11%
Properties: Colorless blades from acetone/ethyl acetate, mp 162-163°. LD50 in mice, male, female rats (mg/kg): >3200, >3200, 1720 orally; >1600, 940, 940 i.p. (Walker).
Melting point: mp 162-163°
Toxicity data: LD50 in mice, male, female rats (mg/kg): >3200, >3200, 1720 orally; >1600, 940, 940 i.p. (Walker)
 
Therap-Cat: Antifungal (topical).
Keywords: Antifungal (Synthetic); Imidazoles.