CAS 30896-65-2

4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-methyl-6-phenyl-, 5-oxide

Description:

4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-methyl-6-phenyl-, 5-oxide, identified by CAS number 30896-65-2, is a chemical compound that belongs to the class of benzodiazepines and triazoles. This compound features a fused triazole and benzodiazepine structure, which contributes to its potential pharmacological properties. The presence of a chlorine atom at the 8-position and a methyl group at the 1-position, along with a phenyl group at the 6-position, indicates that it may exhibit unique interactions with biological targets. The 5-oxide functional group suggests that it may possess oxidative characteristics, potentially influencing its reactivity and stability. Compounds of this nature are often studied for their effects on the central nervous system, and they may exhibit anxiolytic, sedative, or anticonvulsant properties. However, specific biological activities, toxicity, and therapeutic applications would require further investigation through experimental studies and clinical trials.

Formula: C₁₇H₁₃ClN₄O

InChI: InChI=1S/C17H13ClN4O/c1-11-19-20-16-10-21(23)17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3

InChI key: InChIKey=WHYAIKHHRCPZBI-UHFFFAOYSA-N

SMILES: O=N1=C(C=2C(N3C(C1)=NN=C3C)=CC=C(Cl)C2)C4=CC=CC=C4

Synonyms:

• 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-methyl-6-phenyl-, 5-oxide
• 4H-s-Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-methyl-6-phenyl-, 5-oxide
• Alprazolam 5-oxide
• NSC 303007

Alprazolam 5-Oxide

Controlled Product

CAS: 30896-65-2

Applications A metabolite of Alprazolam (A575650).
References Schwartz, M.A., et al.: J. Pharmacol. Exp. Ther., 149, 423 (1965), Childress, S.J., et al.: J. Pharm. Sci., 53, 577 (1964), Gall, M., et al.: J. Med. Chem., 21, 1290 (1978)

Formula: C₁₇H₁₃ClN₄O

Color and Shape: Neat

Molecular weight: 324.76

Ref: TR-A575750

Alprazolam 5-Oxide (1 mg/ml in Acetonitrile)

Controlled Product

CAS: 30896-65-2

Formula: C₁₇H₁₃ClN₄O

Color and Shape: Single Solution

Molecular weight: 324.76

Ref: TR-KIT2835

Alprazolam 5-Oxide-d3

Controlled Product

CAS: 30896-65-2

Applications Alprazolam 5-Oxide-d3 is an intermediate in the synthesis of Alprazolam (A575650), an anxiolytic agent.
References Sethy, V.H., et al.: Arch. Pharmacol., 301, 157 (1978), Fawcett, J.A., et al.: Pharmacotherapy, 2, 242 (1982),

Formula: C₁₇H₁₀D₃ClN₄

Color and Shape: Neat

Molecular weight: 311.79

Ref: TR-A575752

Alprazolam 5-oxide

Controlled Product

CAS: 30896-65-2

Alprazolam 5-oxide is a metabolite of alprazolam, which is a benzodiazepine. It can be detected in urine and plasma after administration of the parent drug. Alprazolam 5-oxide has been shown to be an acceptor of electrons in microextraction experiments. Optimizing extraction parameters for this compound may allow it to be detected at higher concentrations in the environment and industrial chemicals. The sample was analysed by high performance liquid chromatography with tandem mass spectrometry (HPLC-MS/MS). The retention time was optimized at 3.3 minutes and the compound was identified as zolpidem-d6, with a molecular weight of 446.2 Da, using protonated electrospray ionization (ESI) mass spectrometry (ppcps).

Formula: C₁₇H₁₃ClN₄O

Purity: Min. 95%

Molecular weight: 324.76 g/mol

Ref: 3D-FA17328

Alprazolam 5-Oxide

CAS: 30896-65-2

Formula: C₁₇H₁₃ClN₄O

Molecular weight: 324.77

Ref: ST-EA-CP-A14015

4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-methyl-6-phenyl-, 5-oxide

CAS: 30896-65-2

Formula: C₁₇H₁₃ClN₄O

Color and Shape: Solid

Molecular weight: 324.7643

Ref: IN-DA0031LV