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64872-77-1

64872-77-1 structure
64872-77-1 structure
  • Name: Butoconazole nitrate
  • Chemical Name: butoconazole nitrate
  • CAS Number: 64872-77-1
  • Molecular Formula: C19H18Cl3N3O3S
  • Molecular Weight: 474.789
  • Catalog: API Synthetic anti-infective drugs Antifungal drugs
  • Create Date: 2018-06-29 19:41:06
  • Modify Date: 2025-08-21 09:25:48
  • Butoconazole nitrate is an anti-fungal agent.Target: Antifungalbutoconazole 1-BSR is an effective and safe alternative to longer-term therapy with miconazole nitrate (seven days) for vulvovaginal candidiasis [1]. A sustained-release (SR) bioadhesive vaginal cream (2% butoconazole nitrate) has incorporated VagiSite technology, a topical drug delivery system that allows SR of the drug [2].
Name butoconazole nitrate
Synonyms (2S)-1-[2-(2,6-Dichlorophenylthio)-4-(4-chlorophenyl)butyl]-1H-imidazole nitrate
Butoconazole Nitrate
MFCD00058159
1-{4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole nitrate
UNII:4805237NP5
1-{4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole nitrate (1:1)
1H-Imidazole, 1-(4-(4-chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)-, nitrate
1-{4-(4-chlorophényl)-2-[(2,6-dichlorophényl)sulfanyl]butyl}-1H-imidazole nitrate
1H-Imidazole, 1-[4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]-, nitrate (1:1)
(2R)-1-[2-(2,6-Dichlorophenylthio)-4-(4-chlorophenyl)butyl]-1H-imidazole nitrate
Description Butoconazole nitrate is an anti-fungal agent.Target: Antifungalbutoconazole 1-BSR is an effective and safe alternative to longer-term therapy with miconazole nitrate (seven days) for vulvovaginal candidiasis [1]. A sustained-release (SR) bioadhesive vaginal cream (2% butoconazole nitrate) has incorporated VagiSite technology, a topical drug delivery system that allows SR of the drug [2].
Related Catalog
References

[1]. Brown, D., M.R. Henzl, and R.H. Kaufman, Butoconazole nitrate 2% for vulvovaginal candidiasis. New, single-dose vaginal cream formulation vs. seven-day treatment with miconazole nitrate. Gynazole 1 Study Group. J Reprod Med, 1999. 44(11): p. 933-8.

[2]. Heng, L.Z., Y. Chen, and T.C. Tan, Treatment of recurrent vulvo-vaginal candidiasis with sustained-released butoconazole pessary. Singapore Med J, 2012. 53(12): p. e269-71.
Boiling Point 566.9ºC at 760 mmHg
Melting Point 159ºC (dec.)
Molecular Formula C19H18Cl3N3O3S
Molecular Weight 474.789
Flash Point 296.7ºC
Exact Mass 473.013458
PSA 109.17000
LogP 6.81250
Storage condition -20?C Freezer

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NI4399500
CHEMICAL NAME :
1H-Imidazole, 1-(4-(4-chlorophenyl)-2-((2,6-dichlorophenyl)thio)but yl)-, (+-)-, mononitrate
CAS REGISTRY NUMBER :
64872-77-1
LAST UPDATED :
199109
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C19-H17-Cl3-N2-S.H-N-O3
MOLECULAR WEIGHT :
474.81
WISWESSER LINE NOTATION :
T5N CNJ A1Y2R DG&SR BG FG &..H..N-O3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1720 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 21,840,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
940 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 21,840,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>3200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 21,840,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 21,840,1978
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302
Precautionary Statements P301 + P312 + P330
Hazard Codes Xn
Risk Phrases 22
RIDADR NONH for all modes of transport
HS Code 2933290090
HS Code 2933290090
Summary 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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