Basic information
- Name:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester,4,4-dioxide, (2S,5R)-
- Superlist Name:
- Sulbactam pivoxil
- CAS No.:
69388-79-0
- Molecular Structure:
![Molecular Structure of 69388-79-0 (4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester,4,4-dioxide, (2S,5R)-)](http://www.lookchem.com/300w/2010/0623/69388-79-0.jpg)
- Formula:
- C14H21NO7S
- Molecular Weight:
- 347.38
- Synonyms:
- 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 3,3-dimethyl-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester,4,4-dioxide, (2S-cis)-;(Pivaloyloxy)methyl penicillanate S,S-dioxide;CP47904;Sulbactam pivoxil;Unasyn Oral;
- Density:
- 1.371 g/cm3
- Boiling Point:
- 537.534 °C at 760 mmHg
- Flash Point:
- 278.891 °C
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Chemistry
Molecular Structure of Sulbactam pivoxil (CAS NO.69388-79-0):
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IUPAC Name: 2,2-dimethylpropanoyloxymethyl 3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Empirical Formula: C14H21NO7S
Molecular Weight: 347.384
H bond acceptors: 8
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 115.43Å2
Index of Refraction: 1.538
Molar Refractivity: 79.285 cm3
Molar Volume: 253.339 cm3
Surface Tension: 52.659 dyne/cm
Density: 1.371 g/cm3
Flash Point: 278.891 °C
Enthalpy of Vaporization: 81.448 kJ/mol
Boiling Point: 537.534 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Classification Code: Inhibitor
InChI
InChI=1/C14H21NO7S/c1-13(2,3)12(18)22-7-21-11(17)10-14(4,5)23(19,20)9-6-8(16)15(9)10/h9-10H,6-7H2,1-5H3
Smiles
N12[C@@H](S(=O)(=O)C([C@@H]1C(OCOC(C(C)(C)C)=O)=O)(C)C)CC2=O
Specification
Sulbactam pivoxil , with CAS number of 69388-79-0, can be called 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, 4,4-dioxide, (2,2-dimethyl-1-oxopropoxy)methyl ester, (2S-cis)- ; Hydroxymethyl (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate pivalate (ester), 4,4-dioxide ; Pivsulbactam .