CAS 402741-13-3

4-[2-[[(6R,7R)-2-Carboxy-7-[[(2Z)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methylpyridinium

Description:

The chemical substance known as 4-[2-[[(6R,7R)-2-Carboxy-7-[[(2Z)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methylpyridinium, with CAS number 402741-13-3, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as carboxylic acids, thiazoles, and thiadiazoles. This compound features a pyridinium moiety, indicating its potential as a quaternary ammonium compound, which may impart unique solubility and reactivity properties. The presence of phosphonoamino and ethoxyimino groups suggests potential biological activity, possibly as an antimicrobial or therapeutic agent. Its stereochemistry, particularly the (6R,7R) configuration, may influence its interaction with biological targets. Overall, this substance is likely to exhibit significant pharmacological properties, making it of interest in medicinal chemistry and drug development. Further studies would be necessary to elucidate its specific biological activities and potential applications.

Formula: C₂₂H₂₂N₈O₈PS₄

InChI: InChI=1S/C22H21N8O8PS4/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H4-,24,25,27,28,31,33,34,35,36,37)/p+1/b26-13-/t14-,19-/m1/s1

InChI key: InChIKey=ZCCUWMICIWSJIX-NQJJCJBVSA-O

SMILES: C(O)(=O)C=1N2[C@@]([C@H](NC(/C(=N\OCC)/C=3N=C(NP(=O)(O)O)SN3)=O)C2=O)(SCC1SC4=NC(=CS4)C=5C=C[N+](C)=CC5)[H]

Synonyms:

• 4-[2-[[(6R,7R)-2-Carboxy-7-[[(2Z)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methylpyridinium
• Pyridinium, 4-[2-[[(6R,7R)-2-carboxy-7-[[(2Z)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl-
• Pyridinium, 4-[2-[[(6R,7R)-2-carboxy-7-[[(2Z)-(ethoxyimino)[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl-

Ceftaroline Fosamil Inner salt-d3

Controlled Product

CAS: 229016-73-3, 402741-13-3

Applications Ceftaroline Fosamil Inner salt-d3 is labelled Ceftaroline Fosamil inner salt (C243970) which is a cephalosporin antibiotic. It is active against methicillin-resistant Staphylococcus aureus (MRSA) and Gram-positive bacteria. References Kanafani, Z., et al.: Future Microbiology, 4, 25 (2009); Parish, D,, et al.: Curr. Opinion Invest. Drugs, 9, 201 (2000)

Formula: C₂₂D₃H₁₈N₈O₈PS₄

Color and Shape: Neat

Molecular weight: 687.703

Ref: TR-C243972