Ertapenem Impurity 36

cas: 866186-68-7 — see every product listed under this CAS number, including other names

Ertapenem Impurity 36 (CAS 866186-68-7) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-E201636
cas866186-68-7
sizeon request
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Structural formula: {0} (CAS {1})

(3S,4S,4aS,5R)-6-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3,5-dimethyl-1-oxo-3,4,4a,5-tetrahydropyrrolo[1,2-c][1,3]oxazine-4,7-dicarboxylic acid (CAS 866186-68-7) is a chemical compound with the molecular formula C23H25N3O9S and a molecular weight of 519.5 g/mol. IUPAC name: (3S,4S,4aS,5R)-6-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3,5-dimethyl-1-oxo-3,4,4a,5-tetrahydropyrrolo[1,2-c][1,3]oxazine-4,7-dicarboxylic acid. InChIKey: GXFHAVHBDSPPAG-RCSJJZFMSA-N.

Identity
Molecular formulaC23H25N3O9S
Molecular weight519.5 g/mol
IUPAC name(3S,4S,4aS,5R)-6-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3,5-dimethyl-1-oxo-3,4,4a,5-tetrahydropyrrolo[1,2-c][1,3]oxazine-4,7-dicarboxylic acid
InChIKeyGXFHAVHBDSPPAG-RCSJJZFMSA-N
SMILESC[C@@H]1[C@@H]2[C@@H]([C@@H](OC(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)C)C(=O)O

Computed by PubChem (NCBI)

Synonyms: Ertapenem Oxazinone Impurity, Ertapenem Oxazinone, Ertapenem Impurity N6, Ertapenem Impurity 36

Also listed as

Ertapenem Impurity 8 Chemat Brand CAS 866186-68-7
(3S,4S,4aS,5R)-6-(((3S,5S)-5-(((3-Carboxyphenyl)amino)carbonyl)-3-pyrrolidinyl)thio)-3,4,4a,5-tetrahydro-3,5-dimethyl-1-oxo-1H-pyrrolo(1,2-c)(1,3)oxazine-4,7-dicarboxylic Acid TRC CAS 866186-68-7
(3S,4S,4aS,5R)-6-[[(3S,5S)-5-[[(3-Carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-3,4,4a,5-tetrahydro-3,5-dimethyl-1-oxo-1H-pyrrolo[1,2-c][1,3]oxazine-4,7-dicarboxylic Acid, 95%, 95% Chemat CAS 866186-68-7