CAS 64872-77-1|Butoconazole nitrate
Introduction：Basic information about CAS 64872-77-1|Butoconazole nitrate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Butoconazole nitrate | ||
|---|---|---|---|
| CAS Number | 64872-77-1 | Molecular Weight | 474.789 |
| Density | / | Boiling Point | 566.9ºC at 760 mmHg |
| Molecular Formula | C19H18Cl3N3O3S | Melting Point | 159ºC (dec.) |
| MSDS | ChineseUSA | Flash Point | 296.7ºC |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | butoconazole nitrate |
|---|---|
| Synonym | More Synonyms |
Butoconazole nitrate BiologicalActivity
| 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 | Signaling Pathways >>Anti-infection >>FungalResearch Areas >>Infection |
| 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. |
Chemical & Physical Properties
| 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 |
| InChIKey | ZHPWRQIPPNZNML-UHFFFAOYSA-N |
| SMILES | Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1.O=[N+]([O-])O |
| Storage condition | -20?C Freezer |
Toxicological Information
CHEMICAL IDENTIFICATION |
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
Safety Information
| Symbol | 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 |
Customs
| 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% |
Articles27
More Articles| Effects of terconazole and other azole antifungal agents on the sterol and carbohydrate composition of Candida albicans. Diagn. Microbiol. Infect. Dis. 13(1) , 31-5, (1990) The effects of terconazole, a triazole antifungal, on the sterol and carbohydrate composition of Candida albicans was compared with that of three imidazoles: clotrimazole, miconazole, and butoconazole... | |
| Effect of butoconazole nitrate cream and wax insert on the barrier property of contraceptive devices. Am. J. Obstet. Gynecol. 158(4) , 1011-3, (1988) A new method was developed to assess the quality of the barrier property of several types of commonly used contraceptive devices (diaphragm, cervical cap, and condom). Our data showed that butoconazol... | |
| Patient acceptance of prefilled disposable vaginal applicator. Am. J. Obstet. Gynecol. 158(4) , 1006-8, (1988) Patient acceptance of a new, compact, prefilled disposable vaginal applicator was tested in an open study in which 2% butoconazole cream was used for the treatment of vulvovaginal candidiasis. Twenty ... |
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 |
