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Metirosin
METYROSINE · Metirosine · Demser · α-Methyl-L-tyrosine · α-Me-Tyr-OH · AMPT · L-AMPT · L-α-MT
Identifikatoren & physikalische Daten
| CAS No. | 672-87-7 |
|---|---|
| Summenformel | C10H13NO3 |
| Durchschnittliche Molmasse | 195,21 g/mol |
| Monoisotopische Masse | 195,08954328 g/mol |
| SMILES | C[C@](N)(Cc1ccc(O)cc1)C(=O)O |
| InChIKey | NHTGHBARYWONDQ-JTQLQIEISA-N |
| PubChem CID | 441350 |
| ChEMBL | CHEMBL1200862 |
| ChEBI | CHEBI:6912 |
| EC No. | 211-599-5 |
| DTXSID | DTXSID6023315 |
| Lokaler Name | Metirosin |
Chemische & physikalische Eigenschaften
| XLogP | -1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 83,6 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 211 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| LogP (Verteilungskoeffizient) | -1.7 |
| Löslichkeit | Very slightly soluble2.48e+00 g/LAqueous Acid (Slightly) |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Schmelzpunkt | 312.5 °C320-340°C dec. |
| Physical Description | Solid |
| Siedepunkt | 383.7±32.0 °C(Predicted) |
| Dichte | 1.283±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | pKa 2.7 (Uncertain)10.1 (Uncertain) |
| Farbe | White to pale yellow |
| Merck | 13,6183 |
| BRN | 2368400 |
| InChI | InChI=1/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/s3 |
| InChIKey | NHTGHBARYWONDQ-JTQLQIEISA-N |
| SMILES | C(C1C=CC(O)=CC=1)[C@@](N)(C)C(=O)O |&1:8,r| |
| CAS Datenbank | 672-87-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P301+P317, P304+P340, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)MetyrosinevNo-DILI-concernNo matchDOI:10.1016/j.drudis.2016.02.015 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | No |
| Zollcode | 2922504500 |
| R-Sätze (R) | 22-38-40-48/20/22 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
A tyrosine hydroxylase inhibitor. An antihypertensive in pheochromocytoma
Verwenden
Metyrosine is the α-methyl derivative of tyrosine. It competitively inhibits tyrosine hydroxylase action, thus reducing the formation of epinephrine and norepinephrine. It is used for treating patients with pheochromocytoma, in cases where a rise in the level of catecholamines is observed.