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69388-79-0

Basic Information
CAS No.: 69388-79-0
Name: Sulbactam pivoxil
Article Data: 9
Molecular Structure:
Molecular Structure of 69388-79-0 (Sulbactam pivoxil)
Formula: C14H21NO7S
Molecular Weight: 347.389
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;
EINECS: 1312995-182-4
Density: 1.371 g/cm3
Boiling Point: 537.534 °C at 760 mmHg
Flash Point: 278.891 °C
PSA: 115.43000
LogP: 1.22910
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  • Sulbactam pivoxil

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    Sulbactam pivoxil

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  • Sulbactam pivoxil

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    69388-79-0

    Sulbactam pivoxil

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  • Sulbactam pivoxil

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    69388-79-0

    Sulbactam pivoxil

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Chemistry

Molecular Structure of Sulbactam pivoxil (CAS NO.69388-79-0):

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 .