Products 866186-66-5

CAS 866186-66-5 appears in our catalog under these names: Ertapenem Impurity 16 Disodium Salt, N-(4-Aminophenyl)methyl Ertapenem Disodium. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 25mg.

Ertapenem Impurity 16 Disodium Salt
Chemat Brand
  • size: on request
  • Variants: 1
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N-(4-Aminophenyl)methyl Ertapenem Disodium
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

Sodium (4R,5S,6S)-3-[(3S,5S)-1-[(4-aminophenyl)methyl]-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-carboxylic acid (CAS 866186-66-5) is a chemical compound with the molecular formula C29H32N4NaO7S+ and a molecular weight of 603.6 g/mol. IUPAC name: sodium (4R,5S,6S)-3-[(3S,5S)-1-[(4-aminophenyl)methyl]-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-carboxylic acid. InChIKey: AWEHOTJHIVECHQ-JILHJFTNSA-N.

Identity
Molecular formulaC29H32N4NaO7S+
Molecular weight603.6 g/mol
IUPAC namesodium (4R,5S,6S)-3-[(3S,5S)-1-[(4-aminophenyl)methyl]-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-carboxylic acid
InChIKeyAWEHOTJHIVECHQ-JILHJFTNSA-N
SMILESC[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)CC4=CC=C(C=C4)N)C(=O)NC5=CC=CC(=C5)C(=O)O)C(=O)O)[C@@H](C)O.[Na+]

Computed by PubChem (NCBI)