Avibactam Impurity 9 Oxalate

Basic Information

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CAS Number

1416134-48-9

Molecular Formula

C17H24N2O7

Molecular Weight

368.39 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

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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OC(=O)C(=O)O.CCOC(=O)[C@@H]1CC[C@H](CN1)NOCc1ccccc1

InChI

InChI=1S/C15H22N2O3.C2H2O4/c1-2-19-15(18)14-9-8-13(10-16-14)17-20-11-12-6-4-3-5-7-12;3-1(4)2(5)6/h3-7,13-14,16-17H,2,8-11H2,1H3;(H,3,4)(H,5,6)/t13-,14+;/m1./s1

InChIKey

PYUXATUBICTSNB-DFQHDRSWSA-N

LogP

0.5471000000000008

Topological Polar Surface Area

134.19 Å²

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

364

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

Avibactam Intermediate
Avibactam INT 1
(2S,5R)-5-[(Phenylmethoxy)amino]-2-piperidinecarboxylic Acid Ethyl Ester Ethanedioate
ethyl (2S,5R)-5-[(benzyloxy)amino]piperidine-2-carboxylate ethanedioate
(2S,5R)-5-Methyl-5-[(benzyloxy)amino]piperidine-2-carboxylate ethanedioate
(2S,5R)-Ethyl 5-((benzyloxy)amino)piperidine-2-carboxylate oxalate
PYUXATUBICTSNB-DFQHDRSWSA-N
ethyl (2S,5R)-5-[(benzyloxy)amino]piperidine-2-carboxylate; oxalic acid
SB13170
2-Piperidinecarboxylic acid, 5-[(phenylmethoxy)amino]-, ethyl ester, (2S,5R)-, ethanedioate (1:1)
ethyl (2S,5R)-5-((benzyloxy)amino)piperidine-2-carboxylate
oxalic acid (1:1)

MDL Number

MFCD29918783

FAQ

What are the physical and chemical properties of Avibactam Impurity 9 Oxalate (CAS: 1416134-48-9)?

Avibactam Impurity 9 Oxalate is a crystalline compound with a molecular weight of approximately 452.06 g/mol. It has a solubility in water of 5.2 mg/L at 25°C. Chemically, it exhibits limited reactivity with common reagents and is stable under normal storage conditions.

How is Avibactam Impurity 9 Oxalate (CAS: 1416134-48-9) typically synthesized?

Avibactam Impurity 9 Oxalate can be synthesized through a multi-step process involving oximation, reduction, and oxalate formation. The synthesis typically requires a catalyst such as palladium on carbon and is characterized by good yield and selectivity.

What industries use Avibactam Impurity 9 Oxalate (CAS: 1416134-48-9)?

Avibactam Impurity 9 Oxalate is primarily used in the pharmaceutical industry for quality control and impurity profiling of Avibactam, an antibiotic used in combination therapy. It is also of interest in analytical chemistry for developing high-performance liquid chromatography (HPLC) methods.

What precautions should be taken when handling Avibactam Impurity 9 Oxalate (CAS: 1416134-48-9)?

When handling Avibactam Impurity 9 Oxalate, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. It is advisable to work in a well-ventilated hood to avoid inhalation. In case of a spill, contact a supervisor and follow the standard laboratory spill procedure. Always refer to the Safety Data Sheet (SDS) for detailed safety information.