alpha-Hydroxyalprazolam
Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen
Grundinformationen
- CAS
37115-43-8- Standard-SMILES
OCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2- InChIKey
ZURUZYHEEMDQBU-UHFFFAOYSA-N- Summenformel
- C17H13ClN4O
- Durchschnittliche Molmasse
- 324,8 g/mol
- Monoisotopische Masse
- 324,07778872
Überblick
Alpha-Hydroxyalprazolam is a triazolobenzodiazepine.
Namen und Bezeichner
- Bevorzugter Name
- alpha-Hydroxyalprazolam
- IUPAC
- (8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methanol
- Englischer Name
- ALPHA-HYDROXYALPRAZOLAM
- Summenformel
- C17H13ClN4O
- Molmasse
- 324.76
Namen und Synonyme
alpha-Hydroxyalprazolam37115-43-8V7J2Z5Y50UDTXSID601906134H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine-1-methanol, 8-chloro-6-phenyl-U-40125RefChem:555751DTXCID001131041-Hydroxy Alprazolam(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methanol4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-1-methanol,8-chloro-6-phenyl-1-Hydroxy Alprazolam (1.0 mg/mL in Methanol)
Weitere Namen anzeigen
8-Chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-methanolα-HydroxyalprazolamA-HYDROXYALPRAZOLAMα-hydroxy AlprazolamPiraxostat Impurity 27-hydroxy Alprazolam (CRM)α-hydroxy Alprazolam (CRM)alpha-Hydroxyalprazolam solutionα-hydroxyalprazolam Solution, 100ppm
UNII-V7J2Z5Y50Ualpha-Hydroxyalprazolam; -[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-1-methanol, 8-chloro-6-phenyl-; 1-Hydroxyalprazolam; 1'-Hydroxyalprazolam; 6-Phenyl-8-chloro-4H-s-triazolo[4,3-a]benzodiazepine-1-methanol; U 40125beta-hydroxyalprazolam?-hydroxy Alprazolam|A-Hydroxy alprazolam?-Hydroxyalprazolam-d5.alpha.-hydroxy-alprazolam1-HYDROXYALPRAZOLAM
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 63,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 454
Experimentelle und physikochemische Eigenschaften
DrugsDEA NFLIS-Drug Category -> Benzodiazepines
Collision Cross Section173.3 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Physikochemische Eigenschaften
- Schmelzpunkt
- 129 · 129-134°C
- Flammpunkt
- 9 ℃ · 9℃
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- 20 mg/mL, · methylene chloride: ~20 mg/mL, clear, colorless to faintly yellow
- Aggregatzustand
- powder
- Farbe
- white to off-white
- Major Application
- clinical testing
- InChI
- 1S/C17H13ClN4O/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)19-9-15-20-21-16(10-23)22(14)15/h1-8,23H,9-10H2
- InChIKey
- ZURUZYHEEMDQBU-UHFFFAOYSA-N
- SMILES
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information4H-1,2,4Triazolo4,3-a1,4benzodiazepine-1-methanol, 8-chloro-6-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- risk_code
- 20/21/22-39/23/24/25-23/24/25-11
- hazard_code
- Xn,T,F
- safety_code
- 36-45-36/37-16-7
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsKidney
Cellular LocationsCytoplasm
Anwendungen
VerwendenA metabolite of Alprazolam, an anxiolytic
Zugehörige Reaktionen
20
Notizen zur Verbindung
Wird geladen…