Vilanterol Trifenatate
Grundinformationen
- CAS
503070-58-4- Standard-SMILES
O=C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1.OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O- InChIKey
KLOLZALDXGTNQE-JIDHJSLPSA-N- Summenformel
- C44H49Cl2NO7
- Durchschnittliche Molmasse
- 774,8 g/mol
- Monoisotopische Masse
- 773,2886083
Überblick
Vilanterol trifenate is a triphenylacetate salt obtained by combining vilanterol with one equivalent of triphenylacetic acid. Used in combination with fluticasone furoate for treatment of bronchospasm associated with chronic obstructive pulmonary disease. It has a role as a beta-adrenergic agonist and a bronchodilator agent. It contains a vilanterol(1+).
Namen und Bezeichner
- Bevorzugter Name
- Vilanterol Trifenatate
- IUPAC
- 4-[(1R)-2-[6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]hexylamino]-1-hydroxyethyl]-2-(hydroxymethyl)phenol;2,2,2-triphenylacetic acid
- Englischer Name
- Vilanterol Trifenatate
- Summenformel
- C44H49Cl2NO7
- Molmasse
- 774.78
Namen und Synonyme
VILANTEROL TRIFENATATE503070-58-4GW642444MVilanterol (as trifenatate)40AHO2C6DGGW-642444MVilanterol trifenatate [USAN]VILANTEROL TRIFENATATE [MI]VILANTEROL TRIFENATATE [JAN]VILANTEROL TRIFENATATE [WHO-DD]VILANTEROL TRIFENATATE [ORANGE BOOK]Triphenylacetic acid-4-((1R)-2-((6-(2-((2,6-Dichlorobenzyl)oxy)ethoxy)hexyl)amino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol (1:1)
Weitere Namen anzeigen
Vilanterol TrifenateVilanterol triphenylacetateGW 642444MGW642444M TrifenateVilanterol TrenearateGW642444 (trifenatate)Vilanterol Trifenatate (API)
ANORO ELLIPTA COMPONENT VILANTEROL TRIFENATATEBREO ELLIPTA COMPONENT VILANTEROL TRIFENATATEVILANTEROL TRIFENATATE COMPONENT ANORO ELLIPTATRELEGY ELLIPTA COMPONENT VILANTEROL TRIFENATATETRIPHENYLACETIC ACID-4-((1R)-2-((6-(2-(2,6-DICHOLOROBENZYL)OXY)ETHOXY)HEXYL)AMINO)-1-HYDROXYETHYL)-2-(HYDROXYMETHYL)PHENOL (1:1)4-((1R)-2-((6-(2-((2,6-Dichlorobenzyl)oxy)ethoxy)hexyl)amino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol mono(2,2,2-triphenylacetate)4-{(1R)-2-[(6-{2-[(2,6-Dichlorobenzyl)oxy]ethoxy}hexyl)amino]-1-hydroxyethyl}-2-(hydroxymethyl)phenol mono(2,2,2-triphenylacetate)RefChem:901855
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 128 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 20
- Schwere Atome
- 54
- Formalladung
- 0
- Komplexität
- 778
Experimentelle und physikochemische Eigenschaften
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physikochemische Eigenschaften
- Schmelzpunkt
- 131.9 · 131.9-134.2℃
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- Löslichkeit
- Dichloromethane (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Stabilität
- Hygroscopic
- InChIKey
- KLOLZALDXGTNQE-NETKZVBLNA-N
- SMILES
- C(C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)C(=O)O.[C@H](C1C=CC(O)=C(CO)C=1)(O)CNCCCCCCOCCOCC1C(=CC=CC=1Cl)Cl |&1:22,r|
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P264, P270, P273, P280, P301+P317, P302+P352, P308+P316, P318, P319, P321, P330, P332+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 12 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (25%)
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2Skin Irrit. 2STOT SE 2
Chemie und Industrie
Anwendungen
VerwendenVilanterol Trifenatate is a long-acting β2 adrenergic receptor Agonist with alonger than 24-hour activity in humans, and is being developed to be used in combination with FF. It is also highly selective for the β2-receptor, with over 1000-fold greater selectivity compared to β1-receptors. It demonstrates prolonged bronchodilation in subjects with asthma and COPD.
Darstellung
synthetischeVilanterol trifenatate is synthesized by incorporation of an oxygen atom at the homobenzylic position of the right-hand side phenyl ring of (R)-salmeterol and has suitable chemical properties for inhaled administration. The combination in fluticasone furoate (FF) and vilanterol trifenatate (VI) in a single inhaler is the first once daily combination available on the market for the treatment of stable COPD.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…