Cefamandole

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 16
Total Number of Articles : 21
PubChem 456255
Molecular Formula

C18H18N6O5S2

SMILES

CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](C4=CC=CC=C4)O)SC2)C(=O)O

InChI

InChI=1S/C18H18N6O5S2/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29)/t11-,13-,16-/m1/s1

synonyms
  • cefamandole
  • Cefadole
  • 34444-01-4
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Properties
Property Value
MW 462.5 g/mol
HBD 3
HBA 10
Rotatable Bond Count 7
Exact Mass 462.07801004 g/mol
Monoisotopic Mass 462.07801004 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 777
xlogp -0.9
Topological Polar Surface Area 201