ChemicalBook >> CAS DataBase List >>(4R,5S,6S)-3-[[(3S,5S)-5-[[(3-Carboxyphenyl)aMino]carbonyl]-1-[[(4R,5S,6S)-3-[[(3S,5S)-5-[[(3-carboxyphenyl)aMino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-Methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-2-yl]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-Methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid

(4R,5S,6S)-3-[[(3S,5S)-5-[[(3-Carboxyphenyl)aMino]carbonyl]-1-[[(4R,5S,6S)-3-[[(3S,5S)-5-[[(3-carboxyphenyl)aMino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-Methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-2-yl]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-Methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid

CAS No.
402955-37-7
Chemical Name:
(4R,5S,6S)-3-[[(3S,5S)-5-[[(3-Carboxyphenyl)aMino]carbonyl]-1-[[(4R,5S,6S)-3-[[(3S,5S)-5-[[(3-carboxyphenyl)aMino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-Methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-2-yl]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-Methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid
Synonyms
Ertapenem Impurity I;Ertapenem Impurity 21;Ertapenem Impurity 19;Ertapenem USP Impurity O;ErtapeneM DiMer IMpurity;Ertabenem USP impurity I;Ertapenem dimer water and B;(4R,5S,6S)-3-(((3S,5S)-5-((3- carboxyphenyl)carbamoyl)-1-((4R,5S,6S)-3-(((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carbonyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl;1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-1-[[(4R,5S,6S)-3-[[(3S,5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-2-yl]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hyd...;(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]-1-[(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carbonyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CBNumber:
CB82622651
Molecular Formula:
C44H48N6O13S2
Molecular Weight:
933.01
MDL Number:
MFCD30719861
MOL File:
402955-37-7.mol

(4R,5S,6S)-3-[[(3S,5S)-5-[[(3-Carboxyphenyl)aMino]carbonyl]-1-[[(4R,5S,6S)-3-[[(3S,5S)-5-[[(3-carboxyphenyl)aMino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-Methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-2-yl]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-Methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid Properties

Boiling point 1262.4±65.0 °C(Predicted)
Density 1.62±0.1 g/cm3(Predicted)
pka 4.03±0.10(Predicted)

(4R,5S,6S)-3-[[(3S,5S)-5-[[(3-Carboxyphenyl)aMino]carbonyl]-1-[[(4R,5S,6S)-3-[[(3S,5S)-5-[[(3-carboxyphenyl)aMino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-Methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-2-yl]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-Methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid Chemical Properties,Uses,Production

Uses

Ertapenem Dimer is an impurity of Ertapenem (E635000).

(4R,5S,6S)-3-[[(3S,5S)-5-[[(3-Carboxyphenyl)aMino]carbonyl]-1-[[(4R,5S,6S)-3-[[(3S,5S)-5-[[(3-carboxyphenyl)aMino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-Methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-2-yl]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-Methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid Preparation Products And Raw materials

Raw materials

Preparation Products

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(4R,5S,6S)-3-[[(3S,5S)-5-[[(3-Carboxyphenyl)aMino]carbonyl]-1-[[(4R,5S,6S)-3-[[(3S,5S)-5-[[(3-carboxyphenyl)aMino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-Methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-2-yl]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-Methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid ErtapeneM DiMer IMpurity (4R,5S,6S)-3-(((3S,5S)-5-((3- carboxyphenyl)carbamoyl)-1-((4R,5S,6S)-3-(((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carbonyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl (4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]-1-[(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carbonyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Ertapenem Impurity 19 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-1-[[(4R,5S,6S)-3-[[(3S,5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-2-yl]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hyd... Ertapenem Impurity 21 Ertapenem dimer water and B Ertabenem USP impurity I Ertapenem Impurity I Ertapenem USP Impurity O 402955-37-7 C44H48N6O13S2 Aromatics, Chiral Reagents, Heterocycles, Impurities, Pharmaceuticals, Intermediates & Fine Chemicals, Sulfur & Selenium Compounds Aromatics Chiral Reagents Heterocycles Impurities Intermediates & Fine Chemicals Pharmaceuticals Sulfur & Selenium Compounds