Butoconazole Nitrate
Grundinformationen
- CAS
64872-77-1- Standard-SMILES
Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1.O=[N+]([O-])O- InChIKey
ZHPWRQIPPNZNML-UHFFFAOYSA-N- Summenformel
- C19H18Cl3N3O3S
- Durchschnittliche Molmasse
- 474,8 g/mol
- Monoisotopische Masse
- 473,013446
Überblick
Butoconazole nitrate is an organic nitrate salt obtained by reaction of equimolar amounts of butaconazole and nitric acid. An antifungal agent, it is used in gynaecology for treatment of vulvovaginal infections caused by Candida species, particularly Candida albicans. It is a member of imidazoles, an aryl sulfide, an organic nitrate salt, an imidazole antifungal drug and a conazole antifungal drug. It contains a butoconazole(1+).
Namen und Bezeichner
- Bevorzugter Name
- Butoconazole Nitrate
- IUPAC
- 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole;nitric acid
- Englischer Name
- Butoconazole nitrate
- Summenformel
- C19H18Cl3N3O3S
- Molmasse
- 474.79
Namen und Synonyme
BUTOCONAZOLE NITRATE64872-77-1FemstatGynomykGynazole-1ExelgynFemstat 3Mycelex-3RS-35887GynazoleDTXSID6045452RS-35887-00-10-3
Weitere Namen anzeigen
GynomyBuconazole nitrateButocozole nitrateBUTOCONAZOLENITRILEBUTACONAZOLE NITRATE
(+-)-1-(4-(4-Chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)-1H-imidazole mononitrateCHEBI:32414805237NP5DTXCID4025452Gynazole 1RefChem:56484MFCD00058159Butoconazole (nitrate)
Datenbank-Bezeichner
- CAS
64872-77-1- PubChem CID
- 47471
- DTXSID
DTXSID6045452- ChEMBL
CHEMBL1200398- ChEBI
CHEBI:3241- UNII
- 4805237NP5
- EC Number
- 613-721-6
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 109 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 408
Experimentelle und physikochemische Eigenschaften
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physikochemische Eigenschaften
- Schmelzpunkt
- 159 °C · 159°C (dec.)
- storage temp.
- 2 · Sealed in dry,2-8°C
- Löslichkeit
- DMSO or DMF: soluble
- Aggregatzustand
- powder
- Farbe
- White to Off-White
- Merck
- 14 · 14,1529
- InChI
- InChI=1S/C19H17Cl3N2S.HNO3/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;2-1(3)4/h1-5,7-8,10-11,13,16H,6,9,12H2;(H,2,3,4)
- InChIKey
- ZHPWRQIPPNZNML-UHFFFAOYSA-N
- SMILES
- C(CN1C=NC=C1)(SC1C(Cl)=CC=CC=1Cl)CCC1=CC=C(Cl)C=C1.[N+]([O-])(=O)O
- CAS Datenbank
- 64872 · 64872-77-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2933290000
- RTECS-Nr.
- NI4399500
- risk_code
- 22
- Toxizität
- LD50 in mice, male, female rats (mg/kg): >3200, >3200, 1720 orally; >1600, 940, 940 i.p. (Walker)
- hazard_code
- Xn
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Pharmakologische Informationen
FDA Pharmacological Classification
BUTOCONAZOLE NITRATE
Azole Antifungal [EPC]; Azoles [CS]
MeSH Pharmacological ClassificationSubstances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.
Anwendungen
BeschreibungButoconazole Nitrate is the nitrate salt form of butaconazole, a synthetic imidazole derivative with fungistatic properties. Butoconazole is an imidazole antifungal agent that completely inhibits the growth of various fungi in vitro when used at concentrations of 0.05-30 μg/ml. It is active against vaginal infections of pure and mixed strains of C. albicans in mice when used vaginally at concentrations of 0.25-2% and 0.1-1%, respectively. Formulations containing butoconazole have been used in the treatment of vaginal yeast infections. Butoconazole Nitrate is an antifungal imidazole antimycotics. It is useful in the topical treatment of vulvovaginal candidiasis, being similar in effectiveness to miconazole and clotrimazole.
VerwendenImidazole derivative with antifungal properties
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Ergänzende Hinweise
DefinitionChEBI: An organic nitrate salt obtained by reaction of equimolar amounts of butaconazole and nitric acid. An antifungal agent, it is used in gynaecology for treatment of vulvovaginal infections caused by Candida species, particularly Candida a bicans.
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