Hydroxyomeprazole
Grundinformationen
- CAS
92340-57-3- Standard-SMILES
COc1ccc2nc(S(=O)Cc3ncc(CO)c(OC)c3C)[nH]c2c1- InChIKey
CMZHQFXXAAIBKE-UHFFFAOYSA-N- Summenformel
- C17H19N3O4S
- Durchschnittliche Molmasse
- 361,4 g/mol
- Monoisotopische Masse
- 361,10962727
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
- 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
D3-5-Hydroxyomeprazole5-HYDROXY OMEPRAZOLE USP/EP/BPEsomeprazole Sodium Impurity 315-Hydroxy Omeprazole Sodium Salt5-hydroxyomeprazole sodium salt D3
5-Hydroxy Omeprazole (~5% Triethylamine as stabilizer)DTXSID50919234196489-27-71215629-45-0Hydroxyomeprazole Sodium Saltorb1692700SCHEMBL3058978CHEMBL3527071
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 Esomeprazole
Pharmaceuticals -> Metabolite of Omeprazole
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
- Schmelzpunkt
- 144 · 144-146C
- Siedepunkt
- 656.3 · 656.3±65.0 °C(Predicted)
- Dichte
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 8.5 · 8.50±0.10(Predicted)
- Farbe
- White to Pale Brown
- BRN
- 8439890 · 8439890
- Stabilität
- Hygroscopic, Temperature Sensitive
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%)
Sicherheitsdaten
- wgk
- 2
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
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 is the main metabolite of Omeprazole (O635000), which binds covalently to proton pump. It inhibits gastric secretion. Used as an anttiulcerative.
Anbieter53 Anbieter
汇智和源生物技术(苏州)有限公司010-59755330 13701268334 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
United Life Science
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…