Edoxaban Impurity 67

Basic Information

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CAS Number

143150-92-9

Molecular Formula

C7H9BrN2S

Molecular Weight

233.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

286.4±30.0°C at 760 mmHg

SMILES

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CN1CCC2=C(C1)SC(=N2)Br

InChI

InChI=1S/C7H9BrN2S/c1-10-3-2-5-6(4-10)11-7(8)9-5/h2-4H2,1H3

InChIKey

VJHFJWBPUCAWHS-UHFFFAOYSA-N

LogP

1.8935000000000002

Topological Polar Surface Area

16.130000000000003 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

155

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2-Bromo-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine
2-bromo-4,5,6,7-tetrahydro-5-methyl-Thiazolo[5,4-c]pyridine
2-Bromo-5-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
2-bromo-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
2-bromo-5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine
Thiazolo[5,4-c]pyridine, 2-bromo-4,5,6,7-tetrahydro-5-methyl-
VJHFJWBPUCAWHS-UHFFFAOYSA-N
SB13219
AK137641
AB0082244
2-Bromo-5-methyl-4,5,6.7-
2-Bromo-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine
DA-26872
DTXSID80457639
AKOS022172108
2-Bromo-5-methyl-4,5,6,7-tetrahydrothiazolo-[5,4-c]pyridine
DS-5866
143150-92-9
2-BROMO-5-METHYL-4H,6H,7H-[1,3]THIAZOLO[5,4-C]PYRIDINE
MFCD22035142
2-Bromo-5-methyl-4 pound not5 pound not6 pound not7-tetrahydrothiazolo[5 pound not4-c]pyridine
2-Bromo-5-methyl-4,5,6.7-tetrahydrothiazolo[5,4-c]pyridine
SCHEMBL209848
A857069
SY060935
CS-0041774
AMY33582
2-Bromo-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]-pyridine
2-bromo-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine

MDL Number

MFCD22035142

FAQ

What are the physical and chemical properties of Edoxaban Impurity 67 (CAS: 143150-92-9)?

Edoxaban Impurity 67 (CAS: 143150-92-9) is a crystalline solid with a molecular weight of approximately 522.5 g/mol. It has a low solubility in water but is more soluble in organic solvents like dimethyl sulfoxide (DMSO). Chemically, it is less reactive than the parent compound, edoxaban, making it suitable for specific pharmaceutical applications. Its specific gravity is around 1.3 g/cm³ and boiling point is above 300°C, indicating it is not volatile under typical laboratory conditions.

How is Edoxaban Impurity 67 (CAS: 143150-92-9) typically synthesized?

Edoxaban Impurity 67 (CAS: 143150-92-9) is synthesized through a series of chemical reactions involving the parent compound, edoxaban. The process typically includes steps such as hydrolysis and cyclization, using appropriate catalysts to enhance selectivity and yield. The reaction conditions are carefully controlled to minimize the formation of other impurities, ensuring the purity of the end product.

What industries use Edoxaban Impurity 67 (CAS: 143150-92-9)?

Edoxaban Impurity 67 (CAS: 143150-92-9) is primarily used in the pharmaceutical industry, specifically in the development and production of edoxaban, an anticoagulant medication. Although it is an impurity, its presence can provide insights into the quality and purity of the final drug product. It may also find applications in research and development for similar anticoagulant therapies.

What precautions should be taken when handling Edoxaban Impurity 67 (CAS: 143150-92-9)?

When handling Edoxaban Impurity 67 (CAS: 143150-92-9), it is important to use proper personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials, and contaminated materials should be disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.