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Antibacterial agent 46

CAT: 0931-T38871-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T38871-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1426572-51-1
Target
Others, Antibacterial
Related Pathways
Microbiology/Virology, Others
Bioactivity
Antibacterial agent 46, serves as a potent antibacterial compound. With its versatile properties, this agent demonstrates considerable potential for supporting research on bacterial infections.
Smiles
[H][C@]12CN(C(N2OS([O-])(=O)=O)=O)[C@H](c3oc(c4nc(C(N)=O)ccc4)nn3)CC1.[Na+]
Molecular Formula
C14H13N6NaO7S
Molecular Weight
432.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Antibacterial agent 46
CAS Number1426572-51-1
PubChem CID163323809
IUPAC Namesodium [(2S,5R)-2-[5-(6-carbamoyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate
Molecular FormulaC14H13N6NaO7S
Molecular Weight432.35
Topological Polar Surface Area193
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity751
SMILES
C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)[O-])C3=NN=C(O3)C4=NC(=CC=C4)C(=O)N.[Na+]
InChI
InChI=1S/C14H14N6O7S.Na/c15-11(21)8-2-1-3-9(16-8)12-17-18-13(26-12)10-5-4-7-6-19(10)14(22)20(7)27-28(23,24)25;/h1-3,7,10H,4-6H2,(H2,15,21)(H,23,24,25);/q;+1/p-1/t7-,10+;/m1./s1
InChIKey
QFTJTWCPTIXMMW-QJVKKXMWSA-M
Chemical Structure
2D Structure
2D structure of Antibacterial agent 46
CAS: 1426572-51-1
CID: 163323809
Formula: C14H13N6NaO7S
MW: 432.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass432.04641223
Monoisotopic Mass432.04641223
Topological Polar Surface Area193 Ų
Heavy Atom Count29
Formal Charge0
Complexity751
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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