Ertapenem sodium

Basic Information

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CAS Number

153773-82-1

Molecular Formula

C22H24N3NaO7S

Molecular Weight

497.5 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

813.9°C at 760 mmHg

Water Solubility

Fully miscible in water. Soluble in DMSO.

Flash Point

446 °C

SMILES

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CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4=CC=CC(=C4)C(=O)[O-])C(=O)O)C(C)O.[Na+]

InChI

InChI=1S/C22H25N3O7S.Na/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30;/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32);/q;+1/p-1/t9-,10-,13+,14+,15-,16-;/m1./s1

InChIKey

ZXNAQFZBWUNWJM-HRXMHBOMSA-M

LogP

-0.05430

Complexity

900

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

Synonyms & References

English

HY-13625
CHEBI:60070
CS-8020
2T90KE67L0
SCHEMBL102761
Invanz
SODIUM 3-[(2S,4S)-4-{[(4R,5S,6S)-2-CARBOXY-6-[(1R)-1-HYDROXYETHYL]-4-METHYL-7-OXO-1-AZABICYCLO[3.2.0]HEPT-2-EN-3-YL]SULFANYL}PYRROLIDINE-2-AMIDO]BENZOATE
MK 0826
BDBM50248009
sodium (4R,5S,6S)-3-(((3S,5S)-5-((m-carboxyphenyl)carbamoyl)-3-pyrrolidinyl)thio)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylate
(4R,5S,6S)-3-(((3S,5S)-5-((m-Carboxyphenyl)carbamoyl)-3-pyrrolidinyl)thio)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, monosodium salt
Ertapenem sodium (USAN)
ERTAPENEM SODIUM (MART.)
ZXNAQFZBWUNWJM-HRXMHBOMSA-M
sodium 3-((2S,4S)-4-(((4R,5S,6S)-2-carboxy-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl)thio)pyrrolidine-2-carboxamido)benzoate
1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((5-(((3-carboxyphenyl)amino)carbonyl)-3-pyrrolidinyl)thio)-6-(1-hydroxyethyl)-4-methyl-7-oxo-, monosodium salt, (4R-(3(3S*,5S*), 4alpha,5beta,6beta(R*)))-
sodium (4R,5S,6S)-3-(((3S,5S)-5-((m-carboxylatophenyl)carbamoyl)pyrrolidinium-3-yl)sulfanyl)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylate
1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-(((3S,5S)-5-(((3-carboxyphenyl)amino)carbonyl)-3-pyrrolidinyl)thio)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-, monosodium salt, (4R,5S,6S)-
sodium (4R,5S,6S)-3-(((3S,5S)-5-((3-carboxylatophenyl)carbamoyl)pyrrolidinium-3-yl)sulfanyl)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylate
L-749345
AS-84039
D04049
Invanz (TN)
MK-826
UNII-2T90KE67L0
sodium;3-[[(2S,4S)-4-[[(4R,5S,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]pyrrolidine-2-carbonyl]amino]benzoate
ertapenem monosodium
153773-82-1
ZD-4433
1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((5-(((3-carboxyphenyl)amino)carbonyl)-3-pyrrolidinyl)thio)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-, monosodium salt, (4R-(3(3S*,5S*),4alpha,5beta,6beta(R*)))-
MK-0826

MDL Number

MFCD09475566

FAQ

What are the physical and chemical properties of Ertapenem sodium (CAS: 153773-82-1)?

Ertapenem sodium is a crystalline compound with a molecular weight of approximately 594.7 g/mol. It has a highly hydrophilic nature, making it soluble in water. Chemically, it is mildly reactive, particularly with strong acids or bases, but generally stable under normal storage conditions. It is commonly used in the pharmaceutical industry due to its broad-spectrum antibacterial activity.

How is Ertapenem sodium (CAS: 153773-82-1) typically synthesized?

Ertapenem sodium is synthesized through a multi-step process involving the use of protected 1,3-diketones, such as 2,5-dimethyl-3,6-dioxononan-1,9-dione, and 1,2,3,6-tetrahydropyridine derivatives. Catalytic hydrogenation and amidation steps are typically used to achieve high yield and selectivity, with the final product being converted to the sodium salt form.

What industries use Ertapenem sodium (CAS: 153773-82-1)?

Ertapenem sodium (CAS: 153773-82-1) is primarily used in the pharmaceutical industry for the treatment of various bacterial infections. It is also used in research for studying antibiotic resistance and developing new antimicrobial agents.

What precautions should be taken when handling Ertapenem sodium (CAS: 153773-82-1)?

When handling Ertapenem sodium, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Store it in a cool, dry place away from direct sunlight. In case of spills, immediately clean up using appropriate absorbent materials, and refer to the Safety Data Sheet (SDS) for specific guidelines on disposal and further safety measures.