Ceforanide

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Properties Simple | Detailed

Formula C20H21N7O6S2
IUPAC Name (6r,7r)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-3-[[1-(carboxymethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 519.554 g·mol−1
Heat of Formation -476.4 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 568.23 Å 3
Surface Area 440.15 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-7-(2-(alpha-amino-o-tolyl)acetamido)-3-(((1-(carboxymethyl)-1h-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-({[2-(aminomethyl)phenyl]acetyl}amino)-3-({[1-(carboxymethyl)-1h-tetrazol-5-yl]thio}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[2-[2-(aminomethyl)phenyl]ethanoylamino]-3-[[1-(carboxymethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[2-[2-(aminomethyl)phenyl]-1-oxoethyl]amino]-3-[[[1-(carboxymethyl)-5-tetrazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-3-[[[1-(carboxymethyl)tetrazol-5-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r-trans)-7-(((2-(aminomethyl)phenyl)acetyl)amino)-3-(((1-(carboxymethyl)-1h-tetrazol-5-yl)thio)methyl)-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-(((2-(aminomethyl)phenyl)acetyl)amino)-3-(((1-(carboxymethyl)-1h-tetrazol-5-yl)thio)methyl)-8-oxo-, (6r-trans)-
  • 7-(o-(aminomethyl)phenylacetamido)-3-(((1-(carboxymethyl)-1h-tetrazol-5-yl)thio)methyl)-3-cephem-4-carboxylic acid
  • bl-s 786
  • bl-s786
  • bpbio1_000638
  • ceforanide (usp/inn)
  • d00259
  • precef
  • radacef
CAS Number(s)
  • 60925-61-3
InChIKey SLAYUXIURFNXPG-CRAIPNDOSA-N
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