(6R,7R)-7-({[2-(Aminomethyl)Phenyl]Acetyl}Amino)-8-Oxo-3-[(Tetrazolo[1,5-B]Pyridazin-6-Ylsulfanyl)Methyl]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C21H20N8O4S2
IUPAC Name (6r,7r)-3-(7,8-dihydrotetrazolo[1,5-b]pyridazin-4-ium-5,7,8-triid-6-ylsulfanylmethyl)-7-[[2-[2-(λ1-azanylmethyl)benzene-4-id-1-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 512.565 g·mol−1
Heat of Formation 1187.5 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 546.5 Å 3
Surface Area 438.08 Å 2
Point Group Symmetry C1
Synonyms
  • (6r,7r)-7-[2-[2-(aminomethyl)phenyl]ethanoylamino]-8-oxo-3-([1,2,3,4]tetrazolo[5,1-f]pyridazin-6-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[2-[2-(aminomethyl)phenyl]-1-oxoethyl]amino]-8-oxo-3-[(6-tetrazolo[5,1-f]pyridazinylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-8-keto-3-[(tetrazolo[5,1-f]pyridazin-6-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-8-oxo-3-(tetrazolo[5,1-f]pyridazin-6-ylsulfanylmethyl)-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)-8-oxo-3-((tetrazolo(1,5-b)pyridazin-6-ylthio)methyl)-, (6r-trans)-
  • 7-(o-aminomethylphenylacetamido)-3-(tetrazolo(4,5-b)pyridazin-6-ylthiomethyl)-3-cephem-4-carboxylic acid
  • bb-s 226
  • bb-s-226
  • bb-s226
CAS Number(s)
  • 52727-70-5
InChIKey TYUABEAJISXFLD-YLJYHZDGSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N