Products 402955-37-7

CAS 402955-37-7 appears in our catalog under these names: Ertapenem Impurity 10, Ertapenem Impurity 21, Ertapenem Impurity 42. Offered by: Chemat Brand. Available pack sizes: on request.

Ertapenem Impurity 10
Chemat Brand
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  • Variants: 1
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Ertapenem Impurity 21
Chemat Brand
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  • Variants: 1
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Ertapenem Impurity 42
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

(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 (CAS 402955-37-7) is a chemical compound with the molecular formula C44H48N6O13S2 and a molecular weight of 933.0 g/mol. IUPAC name: (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. InChIKey: GIKZHKCNSVCAIT-BNCIILEKSA-N.

Identity
Molecular formulaC44H48N6O13S2
Molecular weight933.0 g/mol
IUPAC name(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
InChIKeyGIKZHKCNSVCAIT-BNCIILEKSA-N
SMILESC[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)N5C[C@H](C[C@H]5C(=O)NC6=CC=CC(=C6)C(=O)O)SC7=C(N8[C@H]([C@H]7C)[C@H](C8=O)[C@@H](C)O)C(=O)O)[C@@H](C)O

Computed by PubChem (NCBI)

Synonyms: Ertapenem Dimer Impurity, Ertapenem Impurity 9, Ertapenem Dimer-H2O B, Ertapenem sodium dimer IV, Ertapenem sodium dimer hydrate b
Isomers (same molecular formula)
(4R,5S,6S)-3-[(3S,5S)-5-[[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]-2-[(3-carboxyphenyl)carbamoyl]pyrrolidine-1-carbonyl]phenyl]carbamoyl]pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid C44H48N6O13S2