CAS 3264-88-8: Benzylpenicillenic acid
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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Found 2 products.
DL-benzylpenicillenic acid
CAS:DL-benzylpenicillin is a penicillin antibiotic that is capable of inducing life-threatening allergic reactions. It is an antigen that can be detected in human serum by spectrometric analysis. The antigenicity of DL-benzylpenicillenic acid has been shown to be dependent on the pH of the solution, with high pH values (9.5) causing more antigenicity than low pH values (4). The reaction products are carboxylic acids and amides, which are formed by nucleophilic attack on the phenyl ring of DL-benzylpenicillin. Molecular modeling has shown that a carboxylate group can form from the carboxylic acid or amide group and bind to the amino group on the penicillin molecule to create a new conjugate. Structural analysis has confirmed these findings and also found that these conjugates have increased immunogenicity when compared to free DL-benzylpenicFormula:C16H18N2O4SPurity:Min. 95%Molecular weight:334.4 g/mol
