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ICI89406

ICI89406 structure

CAS No:
53671-71-9
Formula:
C19H22N4O3
Chemical Name:
ICI89406
Synonyms:
N-[2-[3-(2-CYANOPHENOXY)-2-HYDROXYPROPYLAMINO]ETHYL]-N'-PHENYLUREA;ICI 89406;C025716;Urea, N-(2-((3-(2-cyanophenoxy)-2-hydroxypropyl)amino)ethyl)-N'-phenyl-

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Description

1-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-3-phenylurea is a member of ureas.

ICI89406 Basic Attributes

Molecular Weight：

354.4

Exact Mass：

354.16919058 g/mol

Characteristics

PSA：

106 Å²

Density：

1.25±0.1 g/cm3

Melting Point：

155-156 °C(Solv: acetonitrile (75-05-8))

Boiling Point：

575.0±50.0 °C(Predicted)

PKA：

12.29±0.46

Drug Information

MeSH：

Drugs that bind to but do not activate beta-adrenergic receptors thereby blocking the actions of beta-adrenergic agonists. Adrenergic beta-antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches, and anxiety. (See all compounds classified as Adrenergic beta-Antagonists.)

MeSH Entry Terms：

ICI 89 406

Computed Properties

Molecular Weight:354.4
XLogP3:1.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:354.16919058
Monoisotopic Mass:354.16919058
Topological Polar Surface Area:106
Heavy Atom Count:26
Complexity:459
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: 2 hexanone; ammonium bicarbonate; t butyl alcohol; nitrite formula; triphenylmethanol; olanzapine drug class

Guide of ICI89406

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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