Grundinformationen
- CAS
7681-76-7- Standard-SMILES
Cn1c([N+](=O)[O-])cnc1COC(N)=O- InChIKey
PQFRTXSWDXZRRS-UHFFFAOYSA-N- Summenformel
- C6H8N4O4
- Durchschnittliche Molmasse
- 200,15 g/mol
- Monoisotopische Masse
- 200,05455475
Überblick
Ronidazole is a carbamate ester that is 5-nitroimidazole in which the hydrogens at positions 1 and 2 are replaced by methyl and (carbamoyloxy)methyl groups, respectively. An antiprotozoal agent, it is used in veterinary medicine for the treatment of histomoniasis and swine dysentery. It has a role as an antiparasitic agent and an antiprotozoal drug. It is a carbamate ester, a member of imidazoles and a C-nitro compound.
Namen und Bezeichner
- Bevorzugter Name
- Ronidazole
- IUPAC
- (1-methyl-5-nitroimidazol-2-yl)methyl carbamate
- Lokaler Name
- Ronidazol
- Englischer Name
- RONIDAZOLE
- Summenformel
- C6H8N4O4
- Molmasse
- 200.15
Namen und Synonyme
ronidazole7681-76-7RonidazolRonidazolum1H-Imidazole-2-methanol, 1-methyl-5-nitro-, carbamate (ester)DTXSID60454001-Methyl-2-carbamoyloxymethyl-5-nitroimidazole1-Methyl-5-nitro-1H-imidazole-2-methanol carbamate esterNSC-757865E01R4M1063DTXCID4025400CHEBI:141154
Weitere Namen anzeigen
1-METHYL-2-[CARBAMOYLOXYMETHYL]-5-NITROIMIDAZOLEMCMNDufroridzolpRidzole
RefChem:56788231-675-1Ridzol(1-Methyl-5-nitro-1H-imidazol-2-yl)methyl carbamateRidzol PDugro(1-Methyl-5-nitroimidazol-2-yl)methyl carbamateRidazole
Datenbank-Bezeichner
- CAS
7681-76-7- PubChem CID
- 5094
- DTXSID
DTXSID6045400- ChEMBL
CHEMBL290299- ChEBI
CHEBI:141154
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,4
- Polarare Oberfläche (TPSA)
- 116 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 240
Experimentelle und physikochemische Eigenschaften
Drugs
Pharmaceuticals -> Antibiotics
Pharmaceuticals -> Antiprotozoal Agent
LogP-0.38
Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Collision Cross Section
143.1 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID6045400]
131.6 Ų [M+H]+ [CCS Type: TW]
150 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with Waters Major Mix]
136.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
145.34 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
148.35 Ų [M+Na]+
Physikochemische Eigenschaften
- Schmelzpunkt
- 167 · 167-169°
- Siedepunkt
- 337.86 °C · 337.86°C (rough estimate)
- Dichte
- 1.5359 · 1.5359 (rough estimate)
- Brechungsindex
- 1.65 · 1.6500 (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
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationRonidazole: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 2
- hs_code
- 29332900
- RTECS-Nr.
- NI6803000
- safety_code
- 22-24/25
- Speicherklasse
- 11 - Combustible Solids
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
VerwendenAntimicrobial.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter100 Anbieter
国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
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