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Sulbactam Pivoxil

CAT: 1596-AR-S01983-01Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-S01983-01Size:100 Units
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CAS Number
69388-79-0
Synonyms
(2S,5R) -3,3-Dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid (2,2-Dimethyl-1-oxopropoxy) methyl Ester 4,4-Dioxide; (Pivaloyloxy) methyl Penicillanate S, S-Dioxide; CP 47904; (2S-cis) -3,3-Dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid (2,2-dimethyl-1-oxopropoxy) methyl Ester 4,4-Dioxide
Molecular Formula
C14H21NO7S
Molecular Weight
347.39
API Name
Sulbactam

Chemical Information

Sulbactam Pivoxil

Sulbactam pivoxil is a penicillanic acid ester that results from the formal condensation of the carboxy group of sulbactam with the hydroxy group of hydroxymethyl 2,2-dimethylpropanoate. It is a prodrug of the beta-lactamase inhibitor sulbactam. It has a role as a prodrug. It is a pivaloyloxymethyl ester and a penicillanic acid ester.

CAS Number69388-79-0
PubChem CID9997821
IUPAC Name2,2-dimethylpropanoyloxymethyl (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular FormulaC14H21NO7S
Molecular Weight347.39
XLogP0.7
Topological Polar Surface Area115
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity654
SMILES
CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)OCOC(=O)C(C)(C)C)C
InChI
InChI=1S/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/t9-,10+/m1/s1
InChIKey
OHPVYKXTRACOSQ-ZJUUUORDSA-N
Chemical Structure
2D Structure
2D structure of Sulbactam Pivoxil
CAS: 69388-79-0
CID: 9997821
Formula: C14H21NO7S
MW: 347.39
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.39
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass347.10387318
Monoisotopic Mass347.10387318
Topological Polar Surface Area115 Ų
Heavy Atom Count23
Formal Charge0
Complexity654
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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