3,3-Dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid 4,4-dioxide

HCID 5316

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Basic information

CAS: 494216-40-9
Standard SMILES: CC1(C)C(C(=O)O)N2C(=O)CC2S1(=O)=O
InChIKey: FKENQMMABCRJMK-UHFFFAOYSA-N
Molecular formula: C8H11NO5S
Average molar mass: 233.24 g/mol
Monoisotopic mass: 233.03579362

Names & identifiers

Preferred name: 3,3-Dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid 4,4-dioxide
IUPAC: 3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Names & synonyms

494216-40-93,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxideDTXSID008608633,3-Dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid 4,4-dioxideRefChem:1065629DTXCID90206756Sulbactam (sodium salt)3,3-Dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acids1958Betamaze sodium salt;CP45899 sodium saltOprea1_081951Oprea1_873197

Show more names

MLS006011804SULBACTAM, Sulbactam SodiumSCHEMBL3976686CHEMBL3392042HMS5080B09EBC-08212AKOS015960554AC-1430

Database identifiers

CAS: 494216-40-9
PubChem CID: 5316
DTXSID: DTXSID00860863
ChEMBL: CHEMBL3392042

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 100 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 446

Experimental & physicochemical properties

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Compound notes

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