Products 21106-64-9

CAS 21106-64-9 is the registry number for Oxacillin sodium Impurity 13. Offered by: Chemat Brand. Available pack sizes: on request.

Oxacillin sodium Impurity 13
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S,5R,6R)-6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS 21106-64-9) is a chemical compound with the molecular formula C19H18ClN3O5S and a molecular weight of 435.9 g/mol. IUPAC name: (2S,5R,6R)-6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. InChIKey: IBESBTCCUJSXBN-JKIFEVAISA-N.

Identity
Molecular formulaC19H18ClN3O5S
Molecular weight435.9 g/mol
IUPAC name(2S,5R,6R)-6-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
InChIKeyIBESBTCCUJSXBN-JKIFEVAISA-N
SMILESCC1=C(C(=NO1)C2=CC=C(C=C2)Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O

Computed by PubChem (NCBI)

Synonyms: Oxacillin Impurity 52, Oxacillin EP Impurity G, Oxacillin Sodium Impurity 13
Isomers (same molecular formula)
5-chloro-N-[[(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide C19H18ClN3O5S
2-chloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzoic acid C19H18ClN3O5S
5-chloro-N-[4-(3-oxomorpholin-4-yl)phenyl]-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]thiophene-2-carboxamide C19H18ClN3O5S
(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid C19H18ClN3O5S
(2S,5R,6R)-6-[[3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid C19H18ClN3O5S
5-chloro-N-[4-(3-oxomorpholin-4-yl)phenyl]-N-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide C19H18ClN3O5S
3-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide C19H18ClN3O5S
5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide C19H18ClN3O5S
4-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide C19H18ClN3O5S
5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide C19H18ClN3O5S
5-chloro-N-[[(5S)-2-oxo-3-[2,3,5,6-tetradeuterio-4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide C19H18ClN3O5S