chempirical

Sulbactam

C8H11NO5SCAS 68373-14-8233.24 g/mol

Open in Covalent MOL file
OOHNOSOO
AmideCarboxylic acidLactamSulfone

Properties

Molecular formula
C8H11NO5S
Molar mass
233.24 g/mol
Exact mass
233.0358 Da
Melting point
148–151 °C
logP
-0.80Crippen estimate
Polar surface area
91.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
68373-14-8
SMILES
CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O
InChIKey
FKENQMMABCRJMK-RITPCOANSA-N
InChI
InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S,5R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S-cis)-
  • CP 45899
  • Penicillanic acid sulfone
  • Penicillanic acid 1,1-dioxide
  • Penicillanic acid dioxide
  • Penicillanic acid S,S-dioxide
  • Betamaze

Work with Sulbactam

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sulbactam sodium69388-84-761 % similar Tazobactam89786-04-955 % similar Sulbactam pivoxil69388-79-054 % similar Sultamicillin76497-13-737 % similar Tazobactam sodium89785-84-237 % similar 1-Methyl-4-carboxy-2-pyrrolidone42346-68-933 % similar Tazobactam diphenylmethyl ester89789-07-133 % similar Sultamicillin tosylate83105-70-832 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook