Cefaclor

Molecule SVG Image

Properties Simple | Detailed

Formula C15H14ClN3O4S
IUPAC Name (6r,7r)-7-[[(2r)-2-amino-2-phenyl-acetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 367.807 g·mol−1
Heat of Formation -402.8 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 396.13 Å 3
Surface Area 329.95 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-7-[[(2r)-2-amino-1-oxo-2-phenylethyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2r)-2-amino-2-phenyl-acetyl]amino]-3-chloro-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2r)-2-amino-2-phenyl-acetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2r)-2-amino-2-phenyl-ethanoyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2r)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-{[(2r)-2-amino-2-phenylacetyl]amino}-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2r)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-, (6r,7r)-
  • 70356-03-5 (monohydrate)
  • alenfral
  • alfacet
  • bpbio1_000385
  • bpbio1_001326
  • ccl
  • cefaclor (jp15)
  • d00256
  • dystaclor mr
  • l-kefral
  • raniclor
  • s-6472
CAS Number(s)
  • 53994-73-3
InChIKey QYIYFLOTGYLRGG-GPCCPHFNSA-N
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Elements C Cl H O N S