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Sulfadimethoxine
D4-Sulfadimethoxine · SULFADIMETHOXINE-D4 · Sulphadimethoxine D4 · [2H4]-Sulfadimethoxine · SULFADIMETHOXINE-D4 ISO 9001：2015 REACH · 4-AMino-N-(2,6-diMethoxy-4-pyriMidinyl)benzenesulfonaMide-d4 · 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)(2H?)benzene-1-sulfonamide · 4-Amino-N-(2,6-dimethoxypyrimidin-4-yl)benzene-2,3,5,6-d4-sulfonamide
Identifikatoren & physikalische Daten
| CAS No. | 1020719-80-5 |
|---|---|
| Summenformel | C12H14N4O4S |
| Durchschnittliche Molmasse | 310,33 g/mol |
| SMILES | COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 |
| InChIKey | ZZORFUFYDOWNEF-UHFFFAOYSA-N |
| ChEMBL | CHEMBL62193 |
| ChEBI | CHEBI:32161 |
| EC No. | 204-523-7 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 125 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 419 |
| Stoffklassen | Pharmaceutical |
| Arzneimittel | Pharmaceuticals -> AntibioticsPharmaceuticals -> Antibiotics (Sulfonamide)Pharmaceuticals -> Listed in ZINC15 |
| LogP (Verteilungskoeffizient) | 0.96 |
| Animal Drugs | Active Ingredients (Sulfadimethoxine) -> FDA GreenbookPharmaceuticals -> Animal Drugs -> Approved in TaiwanPharmaceuticals -> UK Veterinary Medicines Directorate List |
| Physical Description | Solid |
| Ionization Efficiency | Positive2.74Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Collision Cross Section | 159.15 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]166 Ų [M+H]+ [CCS Type: TW]170.5 Ų [M+H]+ [CCS Type: TWMethod: calibrated with Waters Major Mix]167.7 Ų [M+H]+ [CCS Type: TW165.8 Ų [M+H]+ |
| Schmelzpunkt | 192-195°C |
| Lagerbedingungen | -20°C Freezer, Under Inert Atmosphere |
| Löslichkeit | Methanol (Slightly, Heated) |
| Aggregatzustand | Solid |
| Farbe | White to Light Beige |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 4.4% (5 of 113) of reports.WarningH315 (46%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 113 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Sulfadimethoxine: 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. |
| Weitere Sicherheitsinformationen | IMAP assessments - Benzenesulfonamide, 4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)-: Human health tier I assessment |
| Hazard Classes and Categories | Skin Irrit. 2 (46%) |
| USGS Health-Based Screening Levels for Evaluating Water-Quality | SulfadimethoxinePharmaceuticalSmith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP |
Anwendungen & Verwendung
Verwenden
Sulfadimethoxine-d4 is a isotope labeled version of Sulfadimethoxine (S699060), a sulfonamide antibiotic.