(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 — see every product listed under this CAS number, including other names

(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) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 100mg. Offered by: Mikromol.

• 2D
• 3D

(3S,7R,7aR)-5-benzyl-2,2-dimethyl-7,7a-dihydro-3H-imidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid (CAS 13093-87-3) is a chemical compound with the molecular formula C16H18N2O4S and a molecular weight of 334.4 g/mol. IUPAC name: (3S,7R,7aR)-5-benzyl-2,2-dimethyl-7,7a-dihydro-3H-imidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid. InChIKey: PSPRNQOVLYLHSA-RWMBFGLXSA-N.

Identity

Molecular formula	C16H18N2O4S
Molecular weight	334.4 g/mol
IUPAC name	(3S,7R,7aR)-5-benzyl-2,2-dimethyl-7,7a-dihydro-3H-imidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid
InChIKey	PSPRNQOVLYLHSA-RWMBFGLXSA-N
SMILES	CC1([C@@H](N2[C@H](S1)[C@H](N=C2CC3=CC=CC=C3)C(=O)O)C(=O)O)C

Computed by PubChem (NCBI)

Synonyms: Benzylpenillic acid, Benzylpenicillin sodium impurity D [EP], Benzylpenicillin potassium impurity D [EP], BENZYLPENICILLIN SODIUM IMPURITY D [EP IMPURITY], BENZYLPENICILLIN POTASSIUM IMPURITY D [EP IMPURITY], PROCAINE BENZYLPENICILLIN IMPURITY D [EP IMPURITY], BENZYLPENICILLIN SODIUM IMPURITY D (EP IMPURITY), BENZYLPENICILLIN POTASSIUM IMPURITY D (EP IMPURITY), PROCAINE BENZYLPENICILLIN IMPURITY D (EP IMPURITY), Benzylpenicillin sodium impurity D

Related forms of this compound

(3S,7R,7aR)-5-benzyl-2,2-dimethyl-7,7a-dihydro-3H-imidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid C₁₆H₁₈N₂O₄S

Isomers (same molecular formula)

4-[(4-butoxyphenyl)diazenyl]benzenesulfonic acid C₁₆H₁₈N₂O₄S

N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzamide C₁₆H₁₈N₂O₄S

8-anilinonaphthalene-1-sulfonic acid;azane;hydrate C₁₆H₁₈N₂O₄S

5-morpholin-4-ylsulfonyl-2-phenoxyaniline C₁₆H₁₈N₂O₄S

4-[(5-ethoxycarbonyl-4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid C₁₆H₁₈N₂O₄S

ethyl 2-amino-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate C₁₆H₁₈N₂O₄S

ethyl 2-amino-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate C₁₆H₁₈N₂O₄S

2-[4-(tert-butylsulfamoyl)phenyl]pyridine-3-carboxylic acid C₁₆H₁₈N₂O₄S

2-[3-carbamoyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid C₁₆H₁₈N₂O₄S

(5S)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid C₁₆H₁₈N₂O₄S

(2R,4S)-2-[(4R)-2-benzyl-5-oxo-4H-1,3-oxazol-4-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid C₁₆H₁₈N₂O₄S