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Ledaborbactam

CAT: 0931-T39287Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T39287Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1842397-36-7
Target
Others, Antibacterial
Related Pathways
Microbiology/Virology, Others
Bioactivity
Iedaborbactam, as a beta-lactamase inhibitor (WO2015191907, Example 62), can be used for the research of bacterial infections.
Smiles
CCC(=O)N[C@H]1Cc2cccc(C(O)=O)c2OB1O
Molecular Formula
C12H14BNO5
Molecular Weight
263.06
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ledaborbactam

Ledaborbactam is a small molecule drug. The usage of the INN stem '-bactam' in the name indicates that Ledaborbactam is a ẞ-lactamase inhibitor. Ledaborbactam has a monoisotopic molecular weight of 263.1 Da.

CAS Number1842397-36-7
PubChem CID138455079
IUPAC Name(3R)-2-hydroxy-3-(propanoylamino)-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
Molecular FormulaC12H14BNO5
Molecular Weight263.06
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity364
SMILES
B1([C@H](CC2=C(O1)C(=CC=C2)C(=O)O)NC(=O)CC)O
InChI
InChI=1S/C12H14BNO5/c1-2-10(15)14-9-6-7-4-3-5-8(12(16)17)11(7)19-13(9)18/h3-5,9,18H,2,6H2,1H3,(H,14,15)(H,16,17)/t9-/m0/s1
InChIKey
QAGGLFCWUVSERJ-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of Ledaborbactam
CAS: 1842397-36-7
CID: 138455079
Formula: C12H14BNO5
MW: 263.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.06
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass263.0965027
Monoisotopic Mass263.0965027
Topological Polar Surface Area95.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity364
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5799793Ledaborbactam
HY-132824-01Ledaborbactam etzadroxil

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