CAS 47491-38-3

2-(azepan-4-yl)-4-(4-chlorobenzyl)phthalazin-1(2H)-one

Description:

2-(Azepan-4-yl)-4-(4-chlorobenzyl)phthalazin-1(2H)-one is a chemical compound characterized by its complex structure, which includes a phthalazinone core substituted with an azepane ring and a chlorobenzyl group. The presence of the azepane moiety contributes to its potential biological activity, as this six-membered nitrogen-containing ring can influence the compound's interaction with biological targets. The 4-chlorobenzyl substituent enhances lipophilicity, which may affect the compound's pharmacokinetics and bioavailability. This compound is likely to exhibit specific reactivity due to the functional groups present, making it of interest in medicinal chemistry and drug development. Its unique structure may also confer specific properties such as solubility, stability, and potential therapeutic effects. As with many compounds, the precise characteristics, including melting point, solubility, and spectral data, would require empirical determination or literature reference for detailed analysis. Overall, this compound represents a class of heterocyclic compounds that may have applications in pharmaceuticals or agrochemicals.

Formula: C₂₁H₂₂ClN₃O

InChI: InChI=1/C21H22ClN3O/c22-16-9-7-15(8-10-16)14-20-18-5-1-2-6-19(18)21(26)25(24-20)17-4-3-12-23-13-11-17/h1-2,5-10,17,23H,3-4,11-14H2

SMILES: c1ccc2c(c1)c(Cc1ccc(cc1)Cl)nn(C1CCCNCC1)c2=O

Synonyms:

• 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1H-azepin-4-yl)-

Desmethylazelastine

CAS: 47491-38-3

Desmethylazelastine, Azelastine's metabolite; 97% protein bound; 54-hour half-life; treats allergies, asthma, diabetes, SARS-CoV-2.

Formula: C₂₁H₂₂ClN₃O

Color and Shape: Solid

Molecular weight: 367.87

Ref: TM-T74583

N-Desmethyl Azelastine

Controlled Product

CAS: 47491-38-3

Applications The main phase I metabolites of Azelastine.
References Adusumalli, V., et al.: Drug Metab. Dispos, 20, 530 (1992), Mano, N., et al.: J. Pharm. Biomed. Anal., 12, 557 (1994), Baldwin, S., et al.: Xenobiotica, 25, 261 (1995), Kobayashi, K., et al.: J. Pharmacol. Exp. Ther., 280, 927 (1997),

Formula: C₂₁H₂₂ClN₃O

Color and Shape: Neat

Molecular weight: 367.87

Ref: TR-D290950

N-Desmethyl Azelastine-d4

Controlled Product

CAS: 47491-38-3

Formula: C₂₁D₄H₁₈ClN₃O

Color and Shape: Neat

Molecular weight: 371.897

Ref: TR-D290952