Acebutolol EP Impurity A

Basic Information

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CAS Number

28197-66-2

Molecular Formula

C15H19NO4

Molecular Weight

277.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Basic Physical Properties

SMILES

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CCCC(=O)NC1=CC(=C(C=C1)OCC2CO2)C(=O)C

InChI

InChI=1S/C15H19NO4/c1-3-4-15(18)16-11-5-6-14(13(7-11)10(2)17)20-9-12-8-19-12/h5-7,12H,3-4,8-9H2,1-2H3,(H,16,18)

InChIKey

MFGKLROXINRXIU-UHFFFAOYSA-N

LogP

2.4054

Topological Polar Surface Area

67.93 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

358

Synonyms & References

English

AKOS015967256
N-[3-Acetyl-4-[(2RS)-oxiran-2-ylmethoxy]phenyl]butanamide
N-{3-Acetyl-4-[(oxiran-2-yl)methoxy]phenyl}butanamide
DTXSID10865420
SCHEMBL10594486
IYI0EW471K
N-(3-ACETYL-4-(OXIRAN-2-YLMETHOXY)PHENYL)BUTANAMIDE, (2RS)-
Q27280954
N-(3-Acetyl-4-(oxiran-2-yLmethoxy)-phenyl)butyramide
3'-ACETYL-4'-(2,3-EPOXYPROPOXY)-BUTYRANILIDE
UNII-IYI0EW471K
AB44817
Acebutolol Hydrochloride Imp. A (EP); Acebutolol Imp. A (EP); N-[3-Acetyl-4-[(2RS)-oxiran-2-ylmethoxy]phenyl]butanamide; Acebutolol Hydrochloride Impurity A; Acebutolol Impurity A
3'-Acetyl-4'-(2,3-epoxypropoxy)butyranilide
N-[3-Acetyl-4-(oxiranylmethoxy)phenyl]butyramide
EINECS 248-893-8
N-(3-ACETYL-4-(2,3-EPOXYPROPOXY)PHENYL)BUTYRAMIDE
3 inverted exclamation mark -Acetyl-4 inverted exclamation mark -(2,3-epoxypropoxy)butyranilide
N-(3-ACETYL-4-(OXIRAN-2-YLMETHOXY)PHENYL)BUTYRAMIDE
3'-Acetyl-4'-(2,3-epoxypropoxy-d5)-butyranilide
N-[3-acetyl-4-(oxiran-2-ylmethoxy)phenyl]butanamide
BUTYRANILIDE, 3'-ACETYL-4'-(2,3-EPOXYPROPOXY)-
FT-0661227
W-110720
N-(3-Acetyl-4-(oxiran-2-ylmethoxy)phenyl)butanamide
28197-66-2
NS00051259
J-003349
N-(3-ACETYL-4-(OXIRAN-2-YLMETHOXY)PHENYL)BUTANAMIDE, (+/-)-
A913507
N-(3-Acetyl-4-(oxiranylmethoxy)phenyl)butyramide

MDL Number

MFCD08276015

FAQ

What are the physical and chemical properties of Acebutolol EP Impurity A (CAS: 28197-66-2)?

Acebutolol EP Impurity A is a crystalline compound with a molecular weight of approximately 334.35 g/mol. It has low solubility in water but is more soluble in organic solvents like ethanol. It is relatively stable under normal conditions, but care should be taken to avoid strong bases or oxidizing agents that could lead to degradation. This impurity can be identified by its specific UV spectrum and chromatographic behavior.

How is Acebutolol EP Impurity A (CAS: 28197-66-2) typically synthesized?

Acebutolol EP Impurity A is synthesized via a multi-step process starting from 6-chloro-3-(isobutylamino)pyridine and 4-bromobutanoic acid. The reaction typically involves protection of the amino group, coupling, and deprotection steps. The yield is around 70-75%, and the purity can be improved through recrystallization and chromatography.

What industries use Acebutolol EP Impurity A (CAS: 28197-66-2)?

Acebutolol EP Impurity A is primarily used in the pharmaceutical industry, where it is a byproduct during the synthesis of Acebutolol, a beta-blocker used to treat hypertension and angina. It is also relevant in quality control and impurity profiling for pharmaceutical products.

What precautions should be taken when handling Acebutolol EP Impurity A (CAS: 28197-66-2)?

When handling Acebutolol EP Impurity A, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Store it in a cool, well-ventilated area to avoid exposure to moisture and heat. In case of a spill, use appropriate containment and clean up with care. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.