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CAS 100988-63-4

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Pyridinium, 1-[[(6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, iodide (1:1)

Description:
Pyridinium, 1-[[(6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, iodide (1:1), with CAS number 100988-63-4, is a chemical compound characterized by its complex bicyclic structure, which includes a thiazole and a pyridine moiety. This compound features a quaternary ammonium structure due to the presence of the pyridinium ion, contributing to its solubility in polar solvents. The presence of an amino group and a carboxylic acid group indicates potential for hydrogen bonding and reactivity, making it of interest in medicinal chemistry. The iodide counterion suggests that it may exhibit ionic characteristics, influencing its stability and interaction with biological systems. This compound may be studied for its pharmacological properties, particularly in relation to its potential as an antimicrobial or therapeutic agent, owing to the structural motifs that are often associated with bioactivity. Overall, its unique structural features and ionic nature make it a subject of interest in various chemical and biological research fields.
Formula:C13H14N3O3S·I
InChI:InChI=1S/C13H13N3O3S.HI/c14-9-11(17)16-10(13(18)19)8(7-20-12(9)16)6-15-4-2-1-3-5-15;/h1-5,9,12H,6-7,14H2;1H/t9-,12-;/m1./s1
InChI key:InChIKey=SZYIIYPUOUTNDY-WYUVZMMLSA-N
SMILES:C(O)(=O)C=1N2[C@@]([C@H](N)C2=O)(SCC1C[N+]=3C=CC=CC3)[H].[I-]
Synonyms:
  • Pyridinium, 1-[[(6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, iodide
  • Pyridinium, 1-[(7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]-, iodide, (6R-trans)-
  • Pyridinium, 1-[[(6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-, iodide (1:1)
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