HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Tizanidine
TIZANIDINE HCL · Tizanidine, 10 mM in DMSO · AB-021 · C07452 · TERNELIN · SIRDALUD · ZANAFLEX · DS-103-282
Identifikatoren & physikalische Daten
| CAS No. | 51322-75-9 |
|---|---|
| Summenformel | C9H8ClN5S |
| Durchschnittliche Molmasse | 253,71 g/mol |
| Monoisotopische Masse | 253,0188941 g/mol |
| SMILES | Clc1ccc2nsnc2c1NC1=NCCN1 |
| InChIKey | XFYDIVBRZNQMJC-UHFFFAOYSA-N |
| PubChem CID | 5487 |
| ChEMBL | CHEMBL1079 |
| ChEBI | CHEBI:63629 |
| EC No. | 610-648-1 |
| DTXSID | DTXSID9023679 |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 90,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 300 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| LogP (Verteilungskoeffizient) | 1.41.05 |
| Löslichkeit | slightly soluble1.33e-01 g/LH2O: ~29 mg/mL |
| Human Drugs | Breast FeedingLactationMilk, HumanAnalgesicsAnticonvulsantsMuscle Relaxants, CentralParasympatholyticsAdrenergic alpha-2 Receptor Agonists |
| Physical Description | Solid |
| Dissociation Constants | 7.48 |
| Collision Cross Section | 149.4 Ų [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Schmelzpunkt | 221-223° |
| Siedepunkt | 391.2±52.0 °C(Predicted) |
| Dichte | 1.82±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Store at -20°C |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 7.48±0.10(Predicted) |
| Farbe | white |
| CAS Datenbank | 51322-75-9(CAS DataBase Reference) |
| NIST chemische Informationen | Tizanidine(51322-75-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H332 (66.7%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oralacute toxicity, inhalation]P203, P261, P264, P270, P271, P280, P301+P317, P304+P340, P317, P318, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: 5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine (EC: 610-648-1) |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Treatment | Should overdose occur, basic steps to ensure the adequacy of an airway and the monitoring of cardiovascular and respiratory systems should be undertaken. In general, symptoms resolve within one to three days following discontinuation of tizanidine and administration of appropriate therapy. Due to the similar mechanism of action, symptoms and management of tizanidine overdose are similar to those following clonidine overdose. (L1712) |
| Gesundheitliche Auswirkungen | May cause a potentially dangerous rash that may develop into Stevens Johnson syndrome, an extremely rare but potentially fatal skin disease. |
| Hepatotoxicity | Transient and asymptomatic elevations in serum ALT greater than 3 times the upper limit of normal occur in ~5% of patients taking tizanidine compared to 0.4% of subjects on placebo. Reports of severe hepatotoxicity, acute liver failure and death have been mentioned in review articles on tizanidine, but few case reports have been published. In these reports, the latency to onset of jaundice has ranged from 2 to 14 weeks and the enzyme elevations have been both cholestatic and hepatocellular (Case 1). Immunoallergic and autoimmune features have not been mentioned. Recovery was complete after 1 to 2 months. |
| Unerwünschte Wirkungen | Tizanidine is generally well-tolerated. However, reports exist of potential adverse effects on several organs, such as cutaneous, gastrointestinal, neurologic, cardiovascular, endocrine, and respiratory systems. |
| Expositionspfade | Oral |
Anwendungen & Verwendung
Beschreibung
Tizanidine is a centrally-acting muscle relaxant useful in the treatment of muscle spasms and a variety of spastic conditions.
Verwenden
Labeled Tizanidine, intended for use as an internal standard for the quantification of Tizanidine by GC- or LC-mass spectrometry.