Biapenem Impurity B Dimer

cas: 1080648-58-3 — see every product listed under this CAS number, including other names

Biapenem Impurity B Dimer (CAS 1080648-58-3) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-B091614
cas1080648-58-3
sizeon request
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Structural formula: {0} (CAS {1})

(2S,3R)-2-[(5R,6S,11R,12S)-12-[(1S,2R)-1-carboxylato-2-hydroxypropyl]-4,10-bis(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5,11-dimethyl-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,9-dien-6-yl]-3-hydroxybutanoate (CAS 1080648-58-3) is a chemical compound with the molecular formula C30H36N8O8S2 and a molecular weight of 700.8 g/mol. IUPAC name: (2S,3R)-2-[(5R,6S,11R,12S)-12-[(1S,2R)-1-carboxylato-2-hydroxypropyl]-4,10-bis(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5,11-dimethyl-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,9-dien-6-yl]-3-hydroxybutanoate. InChIKey: GEATXXBRHOJLRZ-AMOPYFNSSA-N.

Identity
Molecular formulaC30H36N8O8S2
Molecular weight700.8 g/mol
IUPAC name(2S,3R)-2-[(5R,6S,11R,12S)-12-[(1S,2R)-1-carboxylato-2-hydroxypropyl]-4,10-bis(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5,11-dimethyl-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,9-dien-6-yl]-3-hydroxybutanoate
InChIKeyGEATXXBRHOJLRZ-AMOPYFNSSA-N
SMILESC[C@@H]1[C@@H](N2C(=C1SC3CN4C=NC=[N+]4C3)C(=O)N5[C@H]([C@H](C(=C5C2=O)SC6CN7C=NC=[N+]7C6)C)[C@@H]([C@@H](C)O)C(=O)[O-])[C@@H]([C@@H](C)O)C(=O)[O-]

Computed by PubChem (NCBI)

Synonyms: Biapenem impurity 35, Biapenem Impurity B Dimer