Ertapenem Sodium
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
Molecular Identity
Ertapenem Sodium
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
PubChem CID: 23674512
2D Structure
Properties
C22H24N3NaO7S
Molecular Formula
497.50
Molecular Weight
g/mol
497.1233
Exact Mass
Da
184
TPSA
May have limited oral absorption
4
H-Bond Donors
9
H-Bond Acceptors
900
Complexity
SMILES
Canonical SMILES
SMILES: CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4=CC=CC(=C4)C(=O)[O-])C(=O)O)C(C)O.[Na+]Isomeric SMILES
SMILES: C[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)O)[C@@H](C)O.[Na+]Synonyms(20)
Ertapenem sodium153773-82-1Ertapenem sodium saltMK-0826L-749345CHEBI:600702T90KE67L0RefChem:56903InvanzInvanz (TN)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 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)benzoateErtapenem sodium (USAN)MK-826Ertapenem Sodium?
Data from PubChem (NCBI)
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