Ampicillin EP Impurity J

Basic Information

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CAS Number

6489-58-3

Molecular Formula

C13H20N2O4S

Molecular Weight

300.38 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 Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

575.2±50.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Flash Point

301.6±30.1 °C

Vapor Pressure

0.0±3.4 mmHg at 25°C

SMILES

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CC(C)(C)C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O

InChI

InChI=1S/C13H20N2O4S/c1-12(2,3)11(19)14-6-8(16)15-7(10(17)18)13(4,5)20-9(6)15/h6-7,9H,1-5H3,(H,14,19)(H,17,18)/t6-,7+,9-/m1/s1

InChIKey

PORWSLUULGTXGS-BKPPORCPSA-N

LogP

0.6641999999999997

Topological Polar Surface Area

86.71000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

483

Safety Information

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Hazard Statement

Synonyms & References

English

6MM8IJ3O7L
(2S,5R,6R)-6-((2,2-Dimethylpropanoyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-pivalamido-
Ampicillin trihydrate impurity J [EP]
Ampicillin, anhydrous impurity J [EP]
(2S,5R,6R)-6-(2,2-dimethylpropanoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
4-Thia-1-azabicyclo(3.2.0)hept
(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-pivalamido-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Ampicillin, anhy

FAQ

What are the physical and chemical properties of Ampicillin EP Impurity J (CAS: 6489-58-3)?

Ampicillin EP Impurity J (CAS: 6489-58-3) is a semi-synthetic antibiotic. It crystallizes as a white or off-white powder. The molecular weight is approximately 389.4 g/mol. It is slightly soluble in water but insoluble in organic solvents. Chemically, it is stable under normal conditions but may degrade under acidic or basic conditions.

How is Ampicillin EP Impurity J (CAS: 6489-58-3) typically synthesized?

Ampicillin EP Impurity J (CAS: 6489-58-3) is synthesized via a multi-step process from 6-aminopenicillanic acid (6-APA). Common synthesis methods include acylation, fermentation, and chemical modification. Key steps involve the use of various reagents and catalysts to achieve high yields and high selectivity.

What industries use Ampicillin EP Impurity J (CAS: 6489-58-3)?

Ampicillin EP Impurity J (CAS: 6489-58-3) is primarily used in the pharmaceutical industry. It is an impurity in ampicillin, a broad-spectrum antibiotic, and is often monitored to ensure drug quality and safety. It is also of interest in academic research for studying antibiotic resistance and molecular interactions.

What precautions should be taken when handling Ampicillin EP Impurity J (CAS: 6489-58-3)?

When handling Ampicillin EP Impurity J (CAS: 6489-58-3), wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood. Avoid contact with skin and eyes. If a spill occurs, immediately clean up with appropriate absorbent materials and follow safety guidelines. Refer to the Safety Data Sheet (SDS) for detailed information and procedures.