4-Hydroxymidazolam
Grundinformationen
- CAS
59468-85-8- Standard-SMILES
Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2O- InChIKey
ZYISITHKPKHPKG-UHFFFAOYSA-N- Summenformel
- C18H13ClFN3O
- Durchschnittliche Molmasse
- 341,8 g/mol
- Monoisotopische Masse
- 341,0731179
Überblick
4-hydroxymidazolam is an imidazobenzodiazepine that is midazolam which is substituted by a hydroxy group at position 4. It is the minor hydroxylated metabolite of the anesthetic, midazolam. It has a role as a drug metabolite, a human urinary metabolite and a human blood serum metabolite. It is an imidazobenzodiazepine, an organic hydroxy compound, an organochlorine compound and a member of monofluorobenzenes. It is functionally related to a midazolam.
Namen und Bezeichner
- Bevorzugter Name
- 4-Hydroxymidazolam
- IUPAC
- 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-ol
- Englischer Name
- 4-HYDROXYMIDAZOLAM
- Summenformel
- C18H13ClFN3O
- Molmasse
- 341.77
Namen und Synonyme
4-Hydroxymidazolam59468-85-88-chloro-6-(2-fluorophenyl)-1-methyl-4h-imidazo[1,5-a][1,4]benzodiazepin-4-ol4-OH-MdzLIW2RH792RDTXSID20974870CHEBI:1453314H-Imidazo(1,5-a)(1,4)benzodiazepin-4-ol, 8-chloro-6-(2-fluorophenyl)-1-methyl-8-CHLORO-6-(2-FLUOROPHENYL)-1-METHYL-4H-IMIDAZO(1,5-A)(1,4)BENZODIAZEPIN-4-OLRefChem:524049DTXCID409084754-Hydroxy Midazolam
Weitere Namen anzeigen
4-Hydroxymidazolam solution4-Hydroxymidazolam, 1mg/ml in Acetonitrile4-Hydroxy Midazolam (100 μg/mL in methanol)8-Chloro-6-(2-fluorophenyl)-4-hydroxy-4H-imidazo[1,5a][1,4]bezodiazepine8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-o4H-Imidazo[1,5-a][1,4]benzodiazepin-4-ol, 8-chloro-6-(2-fluorophenyl)-1-methyl-4-Hydroxymidazolam,8-Chloro-6-(2-fluorophenyl)-4-hydroxy-4H-imidazo[1,5a][1,4]bezodiazepine4-Hydroxy MidazolamQ: What is 4-Hydroxy Midazolam Q: What is the CAS Number of 4-Hydroxy Midazolam Q: What is the storage condition of 4-Hydroxy Midazolam
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 50,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 505
Physikochemische Eigenschaften
- Schmelzpunkt
- 186 · 186-187 °C
- Siedepunkt
- 550.6 · 550.6±60.0 °C(Predicted)
- Dichte
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 12.69 · 12.69±0.40(Predicted)
- Farbe
- white to off-white
- InChI
- 1S/C18H13ClFN3O/c1-10-21-9-16-18(24)22-17(12-4-2-3-5-14(12)20)13-8-11(19)6-7-15(13)23(10)16/h2-9,18,24H,1H3
- InChIKey
- ZYISITHKPKHPKG-UHFFFAOYSA-N
- SMILES
- FC(C=CC=C1)=C1C2=NC(O)C3=CN=C(C)N3C4=C2C=C(Cl)C=C4
- CAS Datenbank
- 59468 · 59468-85-8
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Sicherheitsdaten
- wgk
- 3
- 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
Metabolism/Metabolites4-Hydroxymidazolam is a known human metabolite of midazolam.
Tissue LocationsKidney
Cellular LocationsCytoplasm
Anwendungen
VerwendenA metabolite of Midazolam (M343000).
Anbieter16 Anbieter
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