Grundinformationen
- CAS
551-92-8- Standard-SMILES
Cc1ncc([N+](=O)[O-])n1C- InChIKey
IBXPYPUJPLLOIN-UHFFFAOYSA-N- Summenformel
- C5H7N3O2
- Durchschnittliche Molmasse
- 141,13 g/mol
- Monoisotopische Masse
- 141,05382646
Überblick
Dimetridazole is a C-nitro compound that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by methyl groups. An antiprotozoal drug, it has been banned by both the Government of Canada and the European Union as a livestock feed additive owing to suspicions of it being carcinogenic. It has a role as an antiparasitic agent and an antiprotozoal drug. It is a member of imidazoles and a C-nitro compound.
Namen und Bezeichner
- Bevorzugter Name
- Dimetridazole
- IUPAC
- 1,2-dimethyl-5-nitroimidazole
- Lokaler Name
- Dimetridazol
- Englischer Name
- 1,2-Dimethyl-5-nitroimidazole
- Summenformel
- C5H7N3O2
- Molmasse
- 141.13
Namen und Synonyme
dimetridazole1,2-Dimethyl-5-nitroimidazole551-92-8EmtrylDimetridazolDimetridazolum5-Nitro-1,2-dimethylimidazole1H-Imidazole, 1,2-dimethyl-5-nitro-RP 8595AlazolDTXSID5020497K59P7XNB8X
Weitere Namen anzeigen
DimetronidazoleDimetridazole Premix8595RPRP8595Unizole
NSC-226253RP-8595DTXCID30497CHEBI:141155RefChem:134401209-001-21,2-DIMETHYL-5-NITRO-1H-IMIDAZOLEEmtrylvet
Datenbank-Bezeichner
- CAS
551-92-8- PubChem CID
- 3090
- DTXSID
DTXSID5020497- ChEMBL
CHEMBL38938- ChEBI
CHEBI:141155- UNII
- K59P7XNB8X
- EC Number
- 209-001-2
- Nikkaji
- J4.401F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 63,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 144
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Antibiotics
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP0.31
Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Ionization Efficiency
Positive
2.97
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Collision Cross Section
128.0 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5020497]
116.4 Ų [M+H]+ [CCS Type: TW]
133.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with Waters Major Mix]
124.77 Ų [M+H]+
Physikochemische Eigenschaften
- Schmelzpunkt
- 177 · 177-182°C
- Siedepunkt
- 258.15 °C · 258.15°C (rough estimate)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (92.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationDimetridazole: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1H-Imidazole, 1,2-dimethyl-5-nitro-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (92.5%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29332900
- RTECS-Nr.
- NI5075000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-36/37-22
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
ATC CodeQP - Antiparasitic products, insecticides and repellents
MeSH Pharmacological ClassificationSubstances that are destructive to protozoans.
Verwendung und Herstellung
Use Classification
Veterinary Drug -> ANTIPROTOZOAL_AGENT -> JECFA Functional Classes
Veterinary Drug -> ANTIPROTOZOAL_AGENT -> JECFA Functional Classes
Veterinary Drug -> ANTIPROTOZOAL_AGENT -> JECFA Functional Classes
Veterinary Drug -> ANTIPROTOZOAL_AGENT -> JECFA Functional Classes
Pharmaceuticals -> Animal Drugs -> Approved in Taiwan
Anwendungen
VerwendenAn antihistomonal agent. Antiprotozoal (Histomonas).
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
19
Notizen zur Verbindung
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