4-Hydroxy-alprazolam - Moligand™, ≥98% , CAS No.30896-57-2

CAS: 30896-57-2 Cat. No.: H275772 Peso molecular: 324.76

GRADE & PURITY Moligand™, ≥98%

Synonyms

UNII-U0COM4319X | RS-4-Hydroxyalprazolam | 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepin-4-ol, 8-chloro-1-methyl-6-phenyl- | 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepin-4-ol, 8-chloro-1-methyl-6-phenyl- | 4-hydroxy Alprazolam | 4-Hydroxyalprazolam; RS-4-Hyd

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

4-Hydroxy alprazolam is a metabolite of Alprazolam. Alprazolam is metabolized primarily by hepatic microsomal oxidation, yielding 4-Hydroxy alprazolam.

Specifications

Sinónimos

UNII-U0COM4319X | RS-4-Hydroxyalprazolam | 4H-(1, 2, 4)Triazolo(4, 3-a)(1, 4)benzodiazepin-4-ol, 8-chloro-1-methyl-6-phenyl- | 4H-[1, 2, 4]Triazolo[4, 3-a][1, 4]benzodiazepin-4-ol, 8-chloro-1-methyl-6-phenyl- | 4-hydroxy Alprazolam | 4-Hydroxyalprazolam; RS-4-Hyd

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Metabolite of anxiolytic benzodiazepine alprazolam

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2O)C4=CC=CC=C4
• IUPAC Name: 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-ol
• InChIKey: CEYGCFLPQFNPST-UHFFFAOYSA-N
• INCHI: 1S/C17H13ClN4O/c1-10-20-21-16-17(23)19-15(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)22(10)16/h2-9,17,23H,1H3
• Isómeros SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2O)C4=CC=CC=C4
• Peso molecular: 324.76
• Reaxy-Rn: 1226636
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1226636&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzodiazepines
      • Subclass 1,4-benzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzodiazepines
• Subclass: 1,4-benzodiazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,2,4-triazolo[4,3-a][1,4]benzodiazepines
• Alternative Parents: Benzene and substituted derivatives Aryl chlorides Triazoles Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Alkanolamines Organopnictogen compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,2,4-triazolo[4,3-a][1,4]benzodiazepine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Ketimine - Alkanolamine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organochloride - Organohalogen compound - Imine - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,2,4-triazolo[4,3-a][1,4]benzodiazepines. These are aromatic compounds containing a 1,4-benzodiazepine fused to and sharing a nitrogen atom with a 1,2,4-triazole ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO to 25 mM
• Peso molecular: 324.800 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 324.078 Da
• Monoisotopic Mass: 324.078 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 468.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1