N-{4-[(7-Chloro-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide

Basic Information

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CAS Number

137973-76-3

Molecular Formula

C26H23ClN2O3

Molecular Weight

446.93 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Boiling Point

593.2°C at 760 mmHg

SMILES

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Cc1ccccc1C(=O)Nc2ccc(C(=O)N3CCCC(=O)c4cc(Cl)ccc34)c(C)c2

InChI

InChI=1S/C26H23ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15H,5,8,13H2,1-2H3,(H,28,31)

InChIKey

VENGMROMZOKURN-UHFFFAOYSA-N

LogP

5.8324400000000045

Topological Polar Surface Area

66.48 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

713

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

N-(4-(7-Chloro-5-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)-3-methylphenyl)-2-methylbenzamide
5-Dehydro Tolvaptan
7-chloro-1-[2-methyl-4-[(2-methylbenzoyl)amino]benzoyl]-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine
N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide
7-chloro-1-[2-methyl-4-(2-methylbenzoylamino)-benzoyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one
Dehydrotolvaptan
VENGMROMZOKURN-UHFFFAOYSA-N
EBD2213548
C168
AX8237403
Z3698
ST24048364
FT-
N-(4-(7-chloro-5-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)-3-methylphenyl)-2-methylbenzamide

MDL Number

MFCD19440797

Customs Code

2933990090

FAQ

What is N-{4-[(7-Chloro-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide (CAS: 137973-76-3)?

N-{4-[(7-Chloro-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide is a complex organic compound with a molecular structure combining benzazepine and benzamide moieties. It is characterized by its potent pharmacological activities, particularly in the field of medicinal chemistry.

What are the main uses of N-{4-[(7-Chloro-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide (CAS: 137973-76-3)?

N-{4-[(7-Chloro-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide is primarily used as an intermediate in the synthesis of pharmaceuticals, particularly for developing new drugs. It also finds applications in research and development for its unique structural properties.

Is N-{4-[(7-Chloro-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide (CAS: 137973-76-3) safe?

N-{4-[(7-Chloro-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide is generally safe when handled with proper precautions. However, it should be used in a well-ventilated environment and with appropriate safety gear. Exposure to eyes, skin, or inhalation must be avoided.

How should N-{4-[(7-Chloro-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide (CAS: 137973-76-3) be stored?

N-{4-[(7-Chloro-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide should be stored in a tightly sealed container at room temperature, away from direct sunlight and moisture. It is important to keep it in a cool, dry place to maintain its stability and potency.