Rebamipide
Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen
Grundinformationen
- CAS
90098-04-7- Standard-SMILES
O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1- InChIKey
ALLWOAVDORUJLA-UHFFFAOYSA-N- Summenformel
- C19H15ClN2O4
- Durchschnittliche Molmasse
- 370,8 g/mol
- Monoisotopische Masse
- 370,07203464
Überblick
2-[[(4-chlorophenyl)-oxomethyl]amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid is a secondary carboxamide.
Namen und Bezeichner
- Bevorzugter Name
- Rebamipide
- IUPAC
- 2-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
- Englischer Name
- Rebamipide
- Summenformel
- C19H15ClN2O4
- Molmasse
- 370.79
Namen und Synonyme
rebamipide90098-04-7ProamipideMucostaOPC-12759RebamipidaRebatorRebamipidumDTXSID80459372-[(4-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acidOPC 12759NSC-758955
Weitere Namen anzeigen
REBAPIMIDERebagenNSC1538Rui patopc12759NSC 1538NSC-15380PC-12759
LR583V32ZRDTXCID60259372-(4-chlorobenzoylamino)-3-(2(1H)-quinolinon-4-yl)propionic acid2-[(4-chlorophenyl)formamido]-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoic acid2-(4-chlorobenzoylamino)-3-[2(1H)-quinolinon-4-yl]propionic acid2-((4-chlorobenzoyl)amino)-3-(2-oxo-1H-quinolin-4-yl)propanoic acid2-((4-chlorophenyl)formamido)-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoic acidRefChem:878997
Datenbank-Bezeichner
- CAS
90098-04-7- PubChem CID
- 5042
- DTXSID
DTXSID8045937- ChEMBL
CHEMBL1697771- ChEBI
CHEBI:93814
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 95,5 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 598
Experimentelle und physikochemische Eigenschaften
Collision Cross Section
183.65 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
185 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 288 · 288-290°C dec.
- Siedepunkt
- 695 · 695.0±55.0 °C(Predicted)
- Dichte
- 1.394 · 1.394±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 5 mg/mL · DMSO: >5mg/mL
- pka
- 3.38 · 3.38±0.10(Predicted)
- Aggregatzustand
- powder
- Farbe
- white
- Merck
- 14 · 14,8124
- InChI
- InChI=1S/C19H15ClN2O4/c20-13-7-5-11(6-8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)
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
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (50%)
Toxikologische Informationen
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Rebamipide
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 29337900
- RTECS-Nr.
- VC2518500
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 Oral
Chemie und Industrie
Pharmakologische Informationen
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
MeSH Pharmacological Classification
Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.
Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Anwendungen
VerwendenShows antiulcer activity in rats
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
17
Notizen zur Verbindung
Wird geladen…