HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ketorolac
Ketorolac acid · 5-benzoyl-2,3-dihydro-1h-pyrrolizine-1-carboxylic acid · Fluoxetin · Acular · (S)-Ketorolac · Dolac · rs37619 · Lixidol
Identifikatoren & physikalische Daten
| CAS No. | 66635-83-4 |
|---|---|
| Summenformel | C15H13NO3 |
| Durchschnittliche Molmasse | 255,27 g/mol |
| Monoisotopische Masse | 255,08954328 g/mol |
| SMILES | O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O |
| InChIKey | OZWKMVRBQXNZKK-UHFFFAOYSA-N |
| PubChem CID | 3826 |
| ChEMBL | CHEMBL469 |
| ChEBI | CHEBI:6129 |
| EC No. | 616-049-1 |
| DTXSID | DTXSID8023189 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 59,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 376 |
| Arzneimittel | PharmaceuticalsPharmaceuticals -> Analgesics and anti-inflammatories |
| LogP (Verteilungskoeffizient) | 2.12.72 |
| Löslichkeit | 5.13e-01 g/LChloroform (Slightly), Methanol (Slightly)183mg/L(32 ºC) |
| Human Drugs | Breast FeedingLactationMilk, HumanAnalgesic AgentsAnti-inflammatory Agents, NonsteroidalPharmaceuticals |
| Schmelzpunkt | 162-165 °C (tromethamine salt)165 - 167 °C (tromethamine salt)160-161°C |
| Physical Description | Solid |
| Dissociation Constants | 3.493.5 |
| Siedepunkt | 493.2±40.0 °C(Predicted) |
| Dichte | 1.33±0.1 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 3.49 ±0.02(at 25℃) |
| Farbe | Off-White |
| InChI | InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19) |
| InChIKey | OZWKMVRBQXNZKK-UHFFFAOYSA-N |
| SMILES | N12CCC(C(O)=O)C1=CC=C2C(=O)C1=CC=CC=C1 |
| CAS Datenbank | 74103-06-3(CAS DataBase Reference) |
| EPA chemische Informationen | 1H-Pyrrolizine-1-carboxylic acid, 5-benzoyl-2,3-dihydro- (74103-06-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 24-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19373 |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Hepatotoxicity | Prospective studies show that up to 1% of patients taking ketorolac experience at least transient serum aminotransferase elevations. These may resolve even with drug continuation. Marked aminotransferase elevations above 3 times the upper limit of normal (ULN) occur in less than 1% of patients. Clinically apparent liver injury with jaundice from ketorolac has not been described in any detail so that the latency, clinical features and prognosis of injury is unknown. Ketorolac is not mentioned as an etiologic agent in large case series on drug induced liver injury or acute liver failure from the United States. However, the antiplatelet activity of ketorolac can lead to complications mostly due to platelet dysfunction and bleeding, and several instances of hepatic rupture and subcapsular hepatic hematomas have been reported with its use which might present clinically as acute liver injury. |
| Unerwünschte Wirkungen | Drug-Drug Interactions |
| Toxizitätsübersicht | High quantities or prolonged use of ketorolac can lead to hepatotoxicity and nephrotoxicity. In addition, ketorolac can cause multiple skin disorders, such as toxic epidermal necrolysis. Anaphylactic shock has been characterized due to ketorolac overdose. |
| Drug Induced Liver Injury | Benchmark Dataset for the Liver Toxicity Knowledge Base (LTKB)ketorolacToradol®NSAIDs3less-DILI-concern drugs |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| UN-Transportnummer | 3249 |
| Zollcode | 2933998090 |
| Toxizität | LD50 orally in mice: ~200 mg/kg (Rooks) |
| Gefahrenklasse | 6.1(a) |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
antiarrhythmic