CAS 13093-87-3: Benzylpenillic acid

Description: Benzylpenillic acid, with the CAS number 13093-87-3, is a chemical compound that is a derivative of penicillin. It is characterized by its structure, which includes a benzyl group attached to the penicillin core, contributing to its unique properties. This compound is primarily known for its role in the study of antibiotic resistance and its potential applications in microbiological research. Benzylpenillic acid exhibits antibacterial activity, although it is less potent than its parent compound, penicillin. It is typically soluble in organic solvents and has limited solubility in water, which influences its bioavailability and pharmacokinetics. The compound's stability can be affected by environmental factors such as pH and temperature, making it important to consider these conditions in experimental settings. Additionally, its interactions with bacterial enzymes, particularly beta-lactamases, are of significant interest in the context of antibiotic resistance. Overall, benzylpenillic acid serves as a valuable compound in both pharmaceutical research and the study of microbial resistance mechanisms.

Formula: C₁₆H₁₈N₂O₄S

InChI: InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-10(8-9-6-4-3-5-7-9)17-11(14(19)20)13(18)23-16/h3-7,11-13H,8H2,1-2H3,(H,19,20)(H,21,22)

InChI key: InChIKey=PSPRNQOVLYLHSA-UHFFFAOYSA-N

SMILES: O=C(O)C1N=C(N2C1SC(C)(C)C2C(=O)O)CC=3C=CC=CC3

Synonyms:

• Benzylpenillic acid
• Imidazo[5,1-b]thiazole-3,7-dicarboxylic acid, 2,3,7,7a-tetrahydro-2,2-dimethyl-5-(phenylmethyl)-
• NSC 76064
• 2,3,7,7a-Tetrahydro-2,2-dimethyl-5-(phenylmethyl)imidazo[5,1-b]thiazole-3,7-dicarboxylic acid
• Imidazo[5,1-b]thiazole-3,7-dicarboxylic acid, 5-benzyl-2,3,7,7a-tetrahydro-2,2-dimethyl-

Imidazo[5,1-b]thiazole-3,7-dicarboxylic acid, 2,3,7,7a-tetrahydro-2,2-dimethyl-5-(phenylmethyl)-

CAS: 13093-87-3

• Formula: C₁₆H₁₈N₂O₄S
• Molecular weight: 334.3901

Benzylpenicillin Potassium EP Impurity D Disodium Salt (Benzylpenicillin (Benzathine) EP Impurity D, Benzylpenicillin (Procaine) EP Impurity D, Benzylpenicillin Sodium EP(CP) Impurity D Disodium Salt)

CAS: 13093-87-3

• Formula: C₁₆H₁₆N₂O₄SNa
• Color and Shape: White To Off-White Solid
• Molecular weight: 332.38 2*22.99

(3S,7R,7aR)-5-Benzyl-2,2-dimethyl-2,3,7,7a-tetrahydroimidazo[5,1-b]thiazole-3,7-dicarboxylic Acid (Penillic Acid of Benzylpenicillin)

CAS: 13093-87-3

• Formula: C₁₆H₁₈N₂O₄S
• Color and Shape: Neat
• Molecular weight: 334.39

Penicillin Impurity 7

CAS: 13093-87-3

• Formula: C₁₆H₁₈N₂O₄S
• Molecular weight: 334.39

(3S, 7R, 7aR)-5-Benzyl-2,2-dimethyl-2,3,7,7a-tetrahydroimidazo[5,1-b]thiazole-3, 7-dicarboxylic Acid

CAS: 13093-87-3

• Formula: C₁₆H₁₈N₂O₄S
• Color and Shape: Neat
• Molecular weight: 334.39

(3S,7R,7aR)-5-Benzyl-2,2-dimethyl-2,3,7,7a-tetrahydroimidazo[5,1-b]thiazole-3,7-dicarboxylic acid (penillic acid of benzylpenicillin )

CAS: 13093-87-3

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• Formula: C₁₆H₁₈N₂O₄S
• Purity: Min. 95%
• Molecular weight: 334.4 g/mol