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Droxidopa
L-threo-3,4-Dihydroxyphenylserine · l-dops · Droxidopa (JAN) · SM 5688 · roxidopa · DROXIDOPA · Droxydopa · l-threodops
Identifikatoren & physikalische Daten
| CAS No. | 23651-95-8 |
|---|---|
| Summenformel | C9H11NO5 |
| Durchschnittliche Molmasse | 213,19 g/mol |
| Monoisotopische Masse | 213,06372245 g/mol |
| SMILES | N[C@H](C(=O)O)[C@H](O)c1ccc(O)c(O)c1 |
| InChIKey | QXWYKJLNLSIPIN-JGVFFNPUSA-N |
| PubChem CID | 92974 |
| ChEMBL | CHEMBL2103827 |
| ChEBI | CHEBI:31524 |
| EC No. | 223-480-5 |
| DTXSID | DTXSID201017236 |
Chemische & physikalische Eigenschaften
| XLogP | -3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 124 |
| H-Brücken-Donoren | 5 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 235 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Schmelzpunkt | 232-235° (dec)mp 229-232° (dec) (Ohashi) |
| Siedepunkt | 549.8±50.0 °C(Predicted) |
| Dichte | 1.608±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C |
| Löslichkeit | DMSO: ≥3mg/mL |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 2.09±0.24(Predicted) |
| Farbe | white to tan |
| Merck | 14,3457 |
| Stabilität | Hygroscopic |
| InChI | InChI=1/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8+/s3 |
| InChIKey | QXWYKJLNLSIPIN-WWXSATIUNA-N |
| SMILES | [C@H](C1C=CC(O)=C(O)C=1)(O)[C@H](N)C(=O)O |&1:0,10,r| |
| CAS Datenbank | 23651-95-8 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Hepatotoxicity | Liver test abnormalities have not been reported in patients taking droxidopa, but the agent has had limited clinical use. There were no episodes of clinically apparent liver injury reported in the preregistration trials of droxidopa, and since its approval there have been no published reports of droxidopa hepatotoxicity. Thus, liver injury from droxidopa is likely to be rare, if it occurs at all. |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)DroxidopavNo-DILI-concernNo matchDOI:10.1016/j.drudis.2016.02.015 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29225090 |
| RTECS-Nr. | VT9626010 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Beschreibung
Droxidopa is a synthetic amino acid precursor of (-)-norepinephrine which is absorbed from the gut and metabolized to norepinephrine. In Parkinsonian patients, droxidopa added to existing levodopa/decarboxylase inhibitor therapy produces significant improvements in retropulsion, dysarthria and muscular rigidity refractory to other treatments; however, tremor was unaffected.
Verwenden
The L-threo-form Droxidopa. A synthetic amino acid precursor of Norepinephrine (N674500). Antiparkinsonian.