Hydroxyomeprazole
Grundinformationen
- CAS
1189882-58-3- Standard-SMILES
COc1ccc2[nH]c(S(=O)Cc3ncc(CO)c(OC)c3C)nc2c1- InChIKey
CMZHQFXXAAIBKE-UHFFFAOYSA-N- Summenformel
- C17H19N3O4S
- Durchschnittliche Molmasse
- 361,4 g/mol
Überblick
5'-hydroxyomeprazole is a sulfoxide that is omeprazole in which one of the methyl hydrogens at position 5 on the pyridine ring is substituted by a hydroxy group. It has a role as a drug metabolite. It is a sulfoxide, a member of benzimidazoles, a member of pyridines and an aromatic ether. It is functionally related to an omeprazole.
Namen und Bezeichner
- Bevorzugter Name
- Hydroxyomeprazole
- IUPAC
- [4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridinyl]methanol
- Englischer Name
- 5-Hydroxy OMeprazole-(Pyridyl)-d3
- Summenformel
- C17H19N3O4S
- Molmasse
- 361.42
Namen und Synonyme
Hydroxyomeprazole92340-57-35-HYDROXY OMEPRAZOLE5-Hydroxymethylomeprazole5-Methoxy-2-(((4-methoxy-3-methyl-5-hydroxymethyl-2-pyridinyl)methyl)sulfinyl)-1H-benzimidazoleRefChem:5362515-HYDROXYOMEPRAZOLE5'-Hydroxyomeprazole[4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methylpyridin-3-yl]methanol4-Methoxy-6-(((5-methoxy-1H-benzimidazol-2-yl)sulfinyl)methyl)-5-methyl-3-pyridinemethanol3-Pyridinemethanol, 4-methoxy-6-(((5-methoxy-1H-benzimidazol-2-yl)sulfinyl)methyl)-5-methyl-(4-methoxy-6-(((5-methoxy-1H-benzo[d]imidazol-2-yl)sulfinyl)methyl)-5-methylpyridin-3-yl)methanol
Weitere Namen anzeigen
Esomeprazole Impurity 125-d35-Hydroxy OMeprazole-(Pyridyl)-d3
5-Hydroxy Omeprazole (~5% Triethylamine as stabilizer)DTXSID509192341215629-45-0Hydroxyomeprazole Sodium Salt196489-27-7orb1692700SCHEMBL3058978CHEMBL3527071
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 117 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 469
Experimentelle und physikochemische Eigenschaften
Drugs
Pharmaceuticals -> Metabolite of Omeprazole
Pharmaceuticals -> Metabolite of Esomeprazole
Collision Cross Section
182.09 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
184.09 Ų [M+H]+
Physikochemische Eigenschaften
- storage temp.
- -86 °C · Hygroscopic, -86°C Freezer, Under inert atmosphere
- Löslichkeit
- Chloroform (Slightly)
- Aggregatzustand
- Solid
- Farbe
- Light Beige
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
Warning
H315 (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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites5-Hydroxyomeprazole is a known human metabolite of omeprazole.
Tissue LocationsKidney
Cellular LocationsExtracellular
Metabolite PathwaysOmeprazole Action Pathway
Anwendungen
Verwenden5-Hydroxy Omeprazole-d3 is the labeled analogue of 5-Hydroxy Omeprazole (H948110), the main metabolite of Omeprazole (O635000), which binds covalently to proton pump. It inhibits gastric secretion. Used as an anttiulcerative.
Anbieter
Wird geladen…
Öffentliche Anfragen
Wird geladen…
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…