Products 87492-68-0

CAS 87492-68-0 appears in our catalog under these names: Benzylpenicillin Impurity 35, Benzylpenicillin Potassium EP Impurity E (Benzylpenicillin (Benzathine) EP Impurity E, Benzylpenicillin (Procaine) EP Impurity B, Benzylpenicillin Sodium EP Impurity E) (S,R,R-Isomer) (5R,6R-Benzylpen, 5R,6R-Benzylpenicilloic Acid. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 10mg, 250mg, 50mg.

Structural formula: {0} (CAS {1})

Benzylpenicilloic acid is a penicilloic acid where the side-chain N-acyl group is specified as phenylacetyl. It has a role as an epitope. It is a conjugate acid of a benzylpenicilloate(1-) and a benzylpenicilloate(2-).

Source: ChEBI

Identity
Molecular formulaC16H20N2O5S
Molecular weight352.4 g/mol
IUPAC name(2R,4S)-2-[(R)-carboxy-[(2-phenylacetyl)amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
InChIKeyHCYWNSXLUZRKJX-RWMBFGLXSA-N
SMILESCC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)CC2=CC=CC=C2)C(=O)O)C

Computed by PubChem (NCBI)