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CAS 3264-88-8

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Benzylpenicillenic acid

Description:
Benzylpenicillenic acid, with the CAS number 3264-88-8, is a chemical compound that is a derivative of penicillin. It is characterized by its beta-lactam structure, which is essential for its antibacterial activity. This compound is typically a white to off-white crystalline powder and is soluble in water, which facilitates its use in various pharmaceutical formulations. Benzylpenicillenic acid is primarily known for its role as a metabolite of penicillin G, and it is often used in the study of penicillin resistance and the pharmacokinetics of beta-lactam antibiotics. Its antibacterial properties are attributed to its ability to inhibit bacterial cell wall synthesis, making it effective against a range of Gram-positive bacteria. However, like other penicillins, it can provoke allergic reactions in some individuals. The stability of benzylpenicillenic acid can be influenced by pH and temperature, which are important considerations in its storage and application in medicinal chemistry.
Formula:C16H18N2O4S
InChI:InChI=1S/C16H18N2O4S/c1-16(2,23)13(14(19)20)17-9-11-15(21)22-12(18-11)8-10-6-4-3-5-7-10/h3-7,9,13,17,23H,8H2,1-2H3,(H,19,20)
InChI key:InChIKey=WGIWOHWWPXKJMS-UHFFFAOYSA-N
SMILES:C(C1=NC(=CNC(C(C)(C)S)C(O)=O)C(=O)O1)C2=CC=CC=C2
Synonyms:
  • Penicillenic acid, 2-(phenylmethyl)-
  • 3-Mercapto-N-[[5-oxo-2-(phenylmethyl)-4(5H)-oxazolylidene]methyl]valine
  • Valine, N-[(2-benzyl-5-oxo-2-oxazolin-4-ylidene)methyl]-3-mercapto-
  • Valine, 3-mercapto-N-[[5-oxo-2-(phenylmethyl)-4(5H)-oxazolylidene]methyl]-
  • 2-Benzylpenicillenic acid
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