Ebastine
Grundinformationen
- CAS
90729-43-4- Standard-SMILES
CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1- InChIKey
MJJALKDDGIKVBE-UHFFFAOYSA-N- Summenformel
- C32H39NO2
- Durchschnittliche Molmasse
- 469,7 g/mol
- Monoisotopische Masse
- 469,29807949
Überblick
Ebastine is an organic molecular entity.
Namen und Bezeichner
- Bevorzugter Name
- Ebastine
- IUPAC
- 4-(4-benzhydryloxypiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-one
- Englischer Name
- Ebastine
- Summenformel
- C32H39NO2
- Molmasse
- 469.66
Namen und Synonyme
ebastine90729-43-4KestineEbastinaEbastinumRP 64305DTXSID6046472LAS-W-090TQD7Q784P1RP-64305DTXCID40264724-Diphenylmethoxy-1-(3-(4-tert-butylbenzoyl)propyl)piperidine
Weitere Namen anzeigen
LAS-90EbasineEVASTEL
RefChem:590526R06AX221-(4-(1,1-Dimethylethyl)phenyl)-4-(4-(diphenylmethoxy)piperidin-1-yl)butan-1-one635-609-6EbastelEbastinEstivan4-(4-(benzhydryloxy)piperidin-1-yl)-1-(4-(tert-butyl)phenyl)butan-1-one
Datenbank-Bezeichner
- CAS
90729-43-4- PubChem CID
- 3191
- DTXSID
DTXSID6046472- ChEMBL
CHEMBL305660- ChEBI
CHEBI:31528- UNII
- TQD7Q784P1
- EC Number
- 635-609-6
- Nikkaji
- J22.761G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,2
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 35
- Formalladung
- 0
- Komplexität
- 594
Experimentelle und physikochemische Eigenschaften
Drugs
Pharmaceuticals
Pharmaceuticals -> Listed in ZINC15
Human DrugsBreast Feeding; Lactation; Antihistamines; Milk, Human; Nonsedating Antihistamines
Physikochemische Eigenschaften
- Schmelzpunkt
- 80 · 80-82°C
- Siedepunkt
- 596.3 · 596.3±50.0 °C(Predicted)
- Dichte
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Slightly soluble in chloroform, methanol.
- pka
- 8.19 · 8.19±0.10(Predicted)
- Aggregatzustand
- solid
- Farbe
- white
- Merck
- 14 · 14,3484
- InChIKey
- MJJALKDDGIKVBE-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(C(C)(C)C)C=C1)(=O)CCCN1CCC(OC(C2=CC=CC=C2)C2=CC=CC=C2)CC1
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
H413 (97.6%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAquatic Chronic 4 (97.6%)
Toxikologische Informationen
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
EBASTINE
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2933.39.9200
- RTECS-Nr.
- EL8140000
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
ATC Code
R06AX22
R - Respiratory system
QR - Respiratory system
Mechanism of ActionEbastine is a second-generation antihistamine that acts as a selective histamine H1-receptor antagonist to relieve allergic symptoms.
Metabolism/MetabolitesEbastine has known human metabolites that include Deslakylebastine and 4-(4-tert-butylphenyl)-4-oxobutanal.
MeSH Pharmacological Classification
Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood.
Cellular LocationsMembrane
Metabolite PathwaysEbastine H1-Antihistamine Action
Verwendung und Herstellung
UsesUse (kg; approx.) in Germany (2009): >100
Anwendungen
BeschreibungEbastine is a new once-daily histamine Hl-receptor antagonist with no sedative effects or autonomic impairment at therapeutic doses. It is reported to be effective in the treatment of hay fever, perennial rhinitis, and uticaria. Ebastine's antihistamine activity is attributed to its carboxylic acid metabolite carebastine.
Zugehörige Reaktionen
3
Notizen zur Verbindung
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