Cefotaxime

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 124
Total Number of Articles : 258
PubChem 12971804
Molecular Formula

C16H17N5O7S2

SMILES

CC(=O)OCC1=C(N2C([C@@H](C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)SC1)C(=O)O

InChI

InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14?/m1/s1

synonyms
  • cefotaxime
  • (7R)-3-(Acetyloxymethyl)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 63527-52-6
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Properties
Property Value
MW 455.5 g/mol
HBD 3
HBA 12
Rotatable Bond Count 8
Exact Mass 455.05694025 g/mol
Monoisotopic Mass 455.05694025 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 833
xlogp -1.4
Topological Polar Surface Area 227