CHEBI:60070 - ertapenem sodium

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ChEBI Name ertapenem sodium ChEBI ID CHEBI:60070 Definition The monosodium salt of ertapenem. It is used for the treatment of moderate to severe susceptible infections including intra-abdominal and acute gynaecological infections, pneumonia, and infections of the skin and of the urinary tract. It is more stable to renal dehydropeptidase I tham imipenem, and so unlike imipenem, its use with cilastatin, which inhibits the enzyme, is not required. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H24N3NaO7S Net Charge 0 Average Mass 497.49700 Monoisotopic Mass 497.12327 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 SMILES [Na+].[H][C@]1(C[NH2+][C@@]([H])(C1)C(=O)Nc1cccc(c1)C([O-])=O)SC1=C(N2C(=O)[C@]([H])([C@@H](C)O)[C@@]2([H])[C@H]1C)C([O-])=O Roles Classification Biological Role(s): antibacterial drug A drug used to treat or prevent bacterial infections. Application(s): antibacterial drug A drug used to treat or prevent bacterial infections. View more via ChEBI Ontology ChEBI Ontology Outgoing ertapenem sodium (CHEBI:60070) has part ertapenem(1−) (CHEBI:60071) ertapenem sodium (CHEBI:60070) has role antibacterial drug (CHEBI:36047) ertapenem sodium (CHEBI:60070) is a organic sodium salt (CHEBI:38700) IUPAC Name 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 Synonyms Sources 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 ChEBI 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 ChEBI Manual Xrefs Databases D04049 KEGG DRUG DB00303 DrugBank View more database links Registry Numbers Types Sources 153773-82-1 CAS Registry Number ChemIDplus 8182202 Beilstein Registry Number Beilstein Last Modified 17 August 2010