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:
![Molecular Structure of 68373-14-8 (4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S,5R)-)](http://www.lookchem.com/300w/2010/0626/68373-14-8.jpg)
- 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

