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Setastine

Setastine structure

CAS No:
64294-95-7
Formula:
C22H28ClNO
Chemical Name:
Setastine
Synonyms:
1H-Azepine,1-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]hexahydro-;1-[2-[1-(4-Chlorophenyl)-1-phenylethoxy]ethyl]hexahydro-1H-azepine;Setastine;1-(2-(1-(4-Chlorophenyl)-1-phenylethoxy)ethyl)azepane
Categories:
Active Pharmaceutical Ingredients > Antiallergic Drugs

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Description

Setastine is a diarylmethane.

Setastine Basic Attributes

Molecular Weight：

357.92

Exact Mass：

357.92

HScode：

2933990090

Characteristics

PSA：

12.5

XLogP3：

5.43400

Density：

1.088±0.06 g/cm3(Predicted)

Drug Information

MeSH Entry Terms：

1-(2-((p-chloromethylphenylbenzyl)oxy)ethyl)hexahydro-1H-azepine

Setastine Use and Manufacturing

Methods of Manufacturing

Method 1: Compound (I) is dissolved in benzene, and after adding sodium amide to react, N-(2-chloroethyl) azepine is added to obtain statastine. Method 2: By reacting compound (II) with N-(2-hydroxyethyl) azepine, statastine can be obtained. Method 3: The compound (Ⅲ) reacts with azepine to obtain statastine.

Uses

H1 receptor antagonist. Used for allergic rhinitis, urticaria, allergic dermatitis.

Computed Properties

Molecular Weight:357.9
XLogP3:5.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:357.1859422
Monoisotopic Mass:357.1859422
Topological Polar Surface Area:12.5
Heavy Atom Count:25
Complexity:368
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes