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Brobactam

CAT: 0931-T26906-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26906-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26631-90-3
Target
Others, Antibacterial
Related Pathways
Microbiology/Virology, Others
Bioactivity
Brobactam is a beta lactamase inhibitor with antibacterial activity.
Smiles
C(O)(=O)[C@@H]1N2[C@@]([C@H](Br)C2=O)(SC1(C)C)[H]
Molecular Formula
C8H10BrNO3S
Molecular Weight
280.14
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2S,5R,6R)-6-Bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid

Brobactam is a small molecule drug. The usage of the INN stem '-bactam' in the name indicates that Brobactam is a ẞ-lactamase inhibitor. Brobactam has a monoisotopic molecular weight of 278.96 Da.

CAS Number26631-90-3
PubChem CID65754
IUPAC Name(2S,5R,6R)-6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular FormulaC8H10BrNO3S
Molecular Weight280.14
XLogP1.9
Topological Polar Surface Area82.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity320
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)Br)C(=O)O)C
InChI
InChI=1S/C8H10BrNO3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
InChIKey
DAVPSCAAXXVSFU-ALEPSDHESA-N
Chemical Structure
2D Structure
2D structure of (2S,5R,6R)-6-Bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
CAS: 26631-90-3
CID: 65754
Formula: C8H10BrNO3S
MW: 280.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.14
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass278.95648
Monoisotopic Mass278.95648
Topological Polar Surface Area82.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity320
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS6021571-01Brobactam
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574602Brobactam Sodium Salt
TRC-B677855-250MGBrobactam S,S-Dioxide
004564Brobactam S, S-Dioxide

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