Ozagrel hydrochloride

Basic Information

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CAS Number

78712-43-3

Molecular Formula

C13H13ClN2O2

Molecular Weight

264.71 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Basic Physical Properties

Melting Point

217°C

Boiling Point

468°C at 760 mmHg

Flash Point

236.8 °C

Solubility

H2O: soluble

SMILES

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C1=CC(=CC=C1CN2C=CN=C2)C=CC(=O)O.Cl

InChI

InChI=1S/C13H12N2O2.ClH/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15;/h1-8,10H,9H2,(H,16,17);1H/b6-5+;

InChIKey

CWKFWBJJNNPGAM-IPZCTEOASA-N

LogP

2.451000000000001

Topological Polar Surface Area

55.12 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

283

Safety Information

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GHS Hazard Pictograms

H303

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

CS-0013156
OKY-046 hydrochloride;Xanbon
W222U960HS
HMS1571C19
MLS002222319
(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid;hydrochloride
SR-01000597793
MLS001401435
2-Propenoic acid, 3-(4-(1H-imidazol-1-ylmethyl)phenyl)-, monohydrochloride, (E)-
DTXSID9045506
Ozagrel hydrochloride- Bio-X
HMS3412F19
Q27114733
OKY-046
BO164219
NS00038000
trans-4-[(1-Imidazolyl)methyl]cinnamic Acid Hydrochloride
LS-14196
CCG-100969
(2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]-2-propenoic acid hydrochloride
UNII-W222U960HS
CPD000469164
NCGC00025195-06
CAS-78712-43-3
OKY046 hydrochloride
(E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic Acid Hydrochloride
CHEBI:31954
NCGC00016937-01
O0419
HMS3676F19
SW197369-4

MDL Number

MFCD00911569

Customs Code

2942000000

FAQ

What are the physical and chemical properties of Ozagrel hydrochloride (CAS: 78712-43-3)?

Ozagrel hydrochloride (CAS: 78712-43-3) is a crystalline compound with a molecular weight of approximately 331.75 g/mol. It is sparingly soluble in water and ethanol. Ozagrel hydrochloride is stable under normal conditions but may react with bases to form the free base. It is not reactive with common reagents and has a low reactivity profile.

How is ozagrel hydrochloride (CAS: 78712-43-3) typically synthesized?

Ozagrel hydrochloride (CAS: 78712-43-3) is synthesized through the acylation of 2-(4-chlorophenyl)-N-(2-methyl-3-nitropropyl)acetamide with acetic anhydride, followed by hydrochloric acid treatment to form the hydrochloride salt. The synthesis involves the use of acetic anhydride as the acylating agent and hydrochloric acid for the salt formation. The overall process is selective and yields a high percentage of the desired product.

What industries use ozagrel hydrochloride (CAS: 78712-43-3)?

Ozagrel hydrochloride (CAS: 78712-43-3) is primarily used in the pharmaceutical industry, where it serves as a thromboxane synthetase inhibitor for the treatment of thrombotic disorders. It has applications in the development of anti-platelet agents for cardiovascular diseases. Though not extensively used, it may also find applications in research for other therapeutic areas.

What precautions should be taken when handling ozagrel hydrochloride (CAS: 78712-43-3)?

When handling ozagrel hydrochloride (CAS: 78712-43-3), it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Store it in a cool, dry place away from direct sunlight. If a spill occurs, use appropriate spill response materials and dispose of them according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.