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Dazoxiben

Dazoxiben structure

CAS No:
78218-09-4
Formula:
C12H12N2O3
Chemical Name:
Dazoxiben
Synonyms:
Benzoic acid,4-[2-(1H-imidazol-1-yl)ethoxy]-;4-[2-(1H-Imidazol-1-yl)ethoxy]benzoic acid;Dazoxiben
Categories:
Active Pharmaceutical Ingredients > Blood System Drugs

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Dazoxiben Basic Attributes

Molecular Weight：

232.24

Exact Mass：

232.24

UNII：

09ZFC7974Q

DSSTox ID：

DTXSID9045639

Characteristics

PSA：

64.4

XLogP3：

1.66030

Density：

1.25 g/cm3

Melting Point：

230-235°C

Boiling Point：

491.2ºC at 760 mmHg

Flash Point：

250.9ºC

Refractive Index：

1.593

Safety Information

wgk germany：

hazard class code：

R22:Harmful if swallowed. R41:Risk of serious damage to eyes.

safety instructions：

S37/39

RTECS Number：

DD6963500

Marks：

Drug Information

MeSH：

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

MeSH Entry Terms：

4-(2-(1H-imidazol-1-yl)ethoxy)benzoic acid hydrochloride

Dazoxiben Use and Manufacturing

Selective TVA2 (thrombus A2) synthase inhibitor, selective thromboxane A2 synthase inhibitor. It is used to treat angina pectoris, and is used for the treatment of thromboembolic diseases such as myocardial infarction and Raynaud~"s disease.

Computed Properties

Molecular Weight:232.23
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:232.08479225
Monoisotopic Mass:232.08479225
Topological Polar Surface Area:64.4
Heavy Atom Count:17
Complexity:252
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

1,2-Dichloroethane

Potassium carbonate

Acetic acid