4-[(2-{[(6R,7R)-3-(Acetoxymethyl)-2-Carboxy-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-En-7-Yl]Amino}-2-Oxoethyl)Sulfanyl]-1-Methylpyridinium

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Properties Simple | Detailed

Formula C18H20N3O6S2+
IUPAC Name (6r,7r)-3-(acetoxymethyl)-7-[[2-(1-methylpyridin-1-ium-4-yl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 438.498 g·mol−1
Heat of Formation -778.9 ± 16.7 kJ·mol−1
Dipole Moment 7.66 ± 1.08 D
Volume 483.1 Å 3
Surface Area 369.39 Å 2
Point Group Symmetry C1
Synonyms
  • (6r,7r)-3-(acetoxymethyl)-7-[[2-(1-methylpyridin-1-ium-4-yl)sulfanylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-(acetoxymethyl)-7-[[2-[(1-methyl-4-pyridin-1-iumyl)thio]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-(acetoxymethyl)-8-keto-7-[[2-[(1-methylpyridin-1-ium-4-yl)thio]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-3-(acetyloxymethyl)-7-[2-(1-methylpyridin-1-ium-4-yl)sulfanylethanoylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r-trans)-4-((2-((3-((acetyloxy)methyl)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-7-yl)amino)-2-oxoethyl)thio)-1-methylpyridinium
  • 7-(alpha-(1-methyl-4-pyridiniothio)acetamido)cephalosporanic acid
  • bl-s-217
CAS Number(s)
  • 51159-12-7
InChIKey MVCWQSBQUMRYDD-RHSMWYFYSA-O
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