4-(4-Chlorobenzyl)-2-(1-methyl-4-azepanyl)-1(2H)-phthalazinone

Basic Information

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CAS Number

58581-89-8

Molecular Formula

C22H24ClN3O

Molecular Weight

381.91 g/mol

Basic Physical Properties

Boiling Point

533.9°C at 760 mmHg

Density

1.1505 (rough estimate)

Refractive Index

1.5790 (estimate)

SMILES

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CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3

InChIKey

MBUVEWMHONZEQD-UHFFFAOYSA-N

LogP

4.297500000000004

Topological Polar Surface Area

38.13 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

558

Synonyms & References

English

KBio3_002992
4-(p-Chlorobenzyl)-2-(N-methylperhydroazepin-4-yl)-1(2H)-phthalazinone
4-(4-chlorobenzyl)-2-(1-methylazepan-4-yl)phthalazin-1(2H)-one
Spectrum3_001984
Azelastinum [INN-Latin]
NCGC00177979-01
1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-methyl-1H-azepin-4-yl)-
Spectrum2_000649
BRN 0900747
4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1(2H)-one
A831938
DB00972
DTXSID6022638
4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-1,2-dihydrophthalazin-1-one
D07483
S01GX07
4-(p-chlorobenzyl)-2-(hexahydro-1-methyl-1H-azepin-4-yl)-1(2H)-phthalazinone
4-(p-Chlorobenzyl)-2-(hexahydro-1-methyl-1H-azepin-4-yl)-1-(2H)-phthalazinone
AZELASTINE [MI]
NSC 758971
Azelastinum (INN-Latin)
AB00698544-11
AKOS015894880
Azelastina (INN-Spanish)
BCP14047
Optivar (TN)
58581-89-8
Optilast
AZELASTINE [VANDF]
NS00003187
L001153

MDL Number

MFCD00242781

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 4-(4-Chlorobenzyl)-2-(1-methyl-4-azepanyl)-1(2H)-phthalazinone (CAS: 58581-89-8)?

4-(4-Chlorobenzyl)-2-(1-methyl-4-azepanyl)-1(2H)-phthalazinone (CAS: 58581-89-8) is regulated under the Globally Harmonized System (GHS) for classification and labeling of chemicals. It is also subject to REACH (Registration, Evaluation, Authorization, and Restriction of Chemicals) regulations in the European Union. In the U.S., the Substance Abuse and Mental Health Services Administration (SAMHSA) and the Environmental Protection Agency (EPA) may require registration and reporting. FDA regulations may apply if it is used in pharmaceuticals or medical devices.

Are there alternatives to 4-(4-Chlorobenzyl)-2-(1-methyl-4-azepanyl)-1(2H)-phthalazinone (CAS: 58581-89-8) in synthesis?

For synthesis, alternative reagents such as 4-(4-chlorobenzyl)-2-(1-methyl-4-azepanyl)phthalazinone can be used. Other similar compounds like 4-(phenylmethyl)-2-(1-methyl-4-azepanyl)-1(2H)-phthalazinone or 4-(2-chlorophenylmethyl)-2-(1-methyl-4-azepanyl)-1(2H)-phthalazinone can serve as effective substitutes. However, the choice of alternative depends on the specific reaction conditions and desired properties.

What is the market or research trend for 4-(4-Chlorobenzyl)-2-(1-methyl-4-azepanyl)-1(2H)-phthalazinone (CAS: 58581-89-8)?

The research trend for 4-(4-Chlorobenzyl)-2-(1-methyl-4-azepanyl)-1(2H)-phthalazinone (CAS: 58581-89-8) is focusing on its application in pharmaceuticals and materials science. Recent studies indicate growing interest in its potential as a pharmacological agent due to its structural features. Market trends suggest increasing demand, driven by advancements in drug discovery and the development of novel materials.

How should waste containing 4-(4-Chlorobenzyl)-2-(1-methyl-4-azepanyl)-1(2H)-phthalazinone (CAS: 58581-89-8) be handled?

Waste containing 4-(4-Chlorobenzyl)-2-(1-methyl-4-azepanyl)-1(2H)-phthalazinone (CAS: 58581-89-8) should be collected in appropriate containers and disposed of via incineration or professional waste disposal services. Environmental protection precautions include minimizing exposure to air and water during handling. If incineration is used, it must comply with local regulations to ensure the destruction of hazardous components. Compliance with all relevant environmental and safety regulations is essential.