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Basic information

  • Name:
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S,5R)-

  • Superlist Name:
  • Sulbactam
  • CAS No.:
  • 68373-14-8

  • Molecular Structure:
  • Formula:
  • C8H11NO5S
  • Molecular Weight:
  • 233.24
  • Synonyms:
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S-cis)-;Betamaze;CP 45899;Penicillanic acid 1,1-dioxide;Penicillanic acid S,S-dioxide;Penicillanic aciddioxide;Penicillanic acid sulfone;Sulbactam;Piperacillin Sodium and Sulbactam Sodium (1:8);Sulbactam Acid;
  • EINECS:
  • 269-878-2
  • Density:
  • 1.62 g/cm3
  • Boiling Point:
  • 567.7 °C at 760 mmHg
  • Flash Point:
  • 297.1 °C

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Specification

The Sulbactam , with cas registry number of 68373-14-8, is a kind of Peptide Synthesis/Antibiotics; Anti-Bacterial Agents; Anti-Infective Agents; Enzyme inhibitors. It is also called Sulbactam acid (base) . The IUPAC name is (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid . And the systematic name is called (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide . It should be stored at temperature of -20°C.

Physical properties of Sulbactam are: (1) ACD/LogP: -1.39 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): -4.31 ; (4) ACD/LogD (pH 7.4): -5.11 ; (5) ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 1 ; (8) ACD/KOC (pH 7.4): 1 ; (9) #H bond acceptors: 6 ; (10) #H bond donors: 1 ; (11) #Freely Rotating Bonds: 1 ; (12) Index of Refraction: 1.605 ; (13) Molar Refractivity: 49.42 cm3 ; (14) Molar Volume: 143.4 cm3 ; (15) Surface Tension: 71.3 dyne/cm ; (16) Enthalpy of Vaporization: 93.14 kJ/mol ; (17) Vapour Pressure: 2.26E-14 mmHg at 25°C.

Uses of Sulbactam : This compound is a irreversible inhibitor of beta-lactamase which is given in combination with beta-lactam antibiotics to inhibit beta-lactamase, an enzyme produced by bacteria that destroys the antibiotics.

You can still convert the following datas into molecular structure:
(1) SMILES:O=S2(=O)C([C@@H](N1C(=O)C[C@H]12)C(=O)O)(C)C;
(2) InChI:InChI=1/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;
(3) InChIKey:FKENQMMABCRJMK-RITPCOANBJ

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