Cefotiam

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Properties Simple | Detailed

Formula C18H23N9O4S3
IUPAC Name (6r,7r)-7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-[[1-(2-dimethylaminoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 525.628 g·mol−1
Heat of Formation -59.9 ± 16.7 kJ·mol−1
Dipole Moment 5.77 ± 1.08 D
Volume 587.86 Å 3
Surface Area 480.63 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-7-[2-(2-amino-1,3-thiazol-4-yl)ethanoylamino]-3-[[1-(2-dimethylaminoethyl)-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-amino-4-thiazolyl)-1-oxoethyl]amino]-3-[[[1-(2-dimethylaminoethyl)-5-tetrazolyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[2-(2-aminothiazol-4-yl)acetyl]amino]-3-[[1-(2-dimethylaminoethyl)tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[2-(2-aminothiazol-4-yl)acetyl]amino]-3-[[[1-(2-dimethylaminoethyl)tetrazol-5-yl]thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-3-[({1-[2-(dimethylamino)ethyl]-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-amino-4-thiazolyl)acetyl)amino)-3-(((1-(2-(dimethylamino)ethyl)-1h-tetrazol-5-yl)thio)methyl)-8-oxo-, (6r-trans)-
  • bpbio1_000379
  • cgp 14221e
  • sce 963
CAS Number(s)
  • 61622-34-2
  • 67356-92-7
  • 70896-40-1
InChIKey QYQDKDWGWDOFFU-IUODEOHRSA-N
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