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2-(6-Methoxy-2-naphthyl)propionsure
Racemic naproxen · rac Naproxen · 2-(6-METHOXY-2-NAPHTHYL)PROPANOIC ACID · DL-NAPROXEN · dj-Naproxen · AKOS B006488 · (±)-Naproxen · (RS)-Naproxen
Identifikatoren & physikalische Daten
| CAS No. | 23981-80-8 |
|---|---|
| Summenformel | C14H14O3 |
| Durchschnittliche Molmasse | 230,26 g/mol |
| Monoisotopische Masse | 230,09429431 g/mol |
| SMILES | COc1ccc2cc(C(C)C(=O)O)ccc2c1 |
| InChIKey | CMWTZPSULFXXJA-UHFFFAOYSA-N |
| PubChem CID | 1302 |
| ChEMBL | CHEMBL12952 |
| ChEBI | CHEBI:91939 |
| EC No. | 245-969-2 |
| DTXSID | DTXSID70860274 |
| Lokaler Name | 2-(6-Methoxy-2-naphthyl)propionsure |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 277 |
| Arzneimittel | Pharmaceuticals |
| Schmelzpunkt | 157°C |
| Siedepunkt | 403.9±20.0 °C(Predicted) |
| Dichte | 1+-.0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| pKa (Säurekonstante) | 4.84±0.30(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Light red to Green |
| Hauptanwendungen | pharmaceutical small molecule |
| InChI | 1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16) |
| InChIKey | CMWTZPSULFXXJA-UHFFFAOYSA-N |
| SMILES | O(C)c1cc2c(cc(cc2)C(C)C(=O)O)cc1 |
| CAS Datenbank | 23981-80-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P264, P264+P265, P270, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P308+P316, P321, P330, P332+P317, P337+P317, P362+P364, 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.WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Status: Cease Manufacture Update: 10-09-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/5518 |
| Hazard Classes and Categories | Acute Tox. 3 (66.7%)Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29189900 |
| R-Sätze (R) | 36/37/38-36 |
| Sicherheitshinweise (S) | 26-36/37/39-36 |
| Gefahrenklasse | 6.1Acute Tox. 3 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
An anti-inflammatory, analgesic, antipyretic. A non-steroidal anti-inflammatory.