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Cefoxazole

CAT: 0931-T206995-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T206995-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
36920-48-6
Target
Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Cefoxazole is a β-lactam antibiotic featuring an isoxazole structure, known for its antibacterial activity. It can be utilized in the study of infectious diseases.
Smiles
C(O)(=O)C=1N2[C@@]([C@H](NC(=O)C=3C(=NOC3C)C4=C(Cl)C=CC=C4)C2=O)(SCC1COC(C)=O)[H]
Molecular Formula
C21H18ClN3O7S
Molecular Weight
491.902
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cefoxazole

Cefoxazole is a small molecule drug. Cefoxazole has a monoisotopic molecular weight of 491.06 Da.

CAS Number36920-48-6
PubChem CID65798
IUPAC Name(6R,7R)-3-(acetyloxymethyl)-7-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular FormulaC21H18ClN3O7S
Molecular Weight491.9
XLogP1.3
Topological Polar Surface Area164
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity884
SMILES
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)COC(=O)C)C(=O)O
InChI
InChI=1S/C21H18ClN3O7S/c1-9-14(15(24-32-9)12-5-3-4-6-13(12)22)18(27)23-16-19(28)25-17(21(29)30)11(7-31-10(2)26)8-33-20(16)25/h3-6,16,20H,7-8H2,1-2H3,(H,23,27)(H,29,30)/t16-,20-/m1/s1
InChIKey
OCLRGULJISNUQS-OXQOHEQNSA-N
Chemical Structure
2D Structure
2D structure of Cefoxazole
CAS: 36920-48-6
CID: 65798
Formula: C21H18ClN3O7S
MW: 491.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.9
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass491.0553988
Monoisotopic Mass491.0553988
Topological Polar Surface Area164 Ų
Heavy Atom Count33
Formal Charge0
Complexity884
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

Alternative Products

CatalogName
GTR19258107-01Cefoxazole

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