CAS 13093-87-3 (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)

CAT	APS13093873
CAS	13093-87-3
Structure
Synonyms	Benzylpenicillin Benzathine Imp. D (EP), Benzylpenicillin Potassium Imp. D (EP), (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, Benzylpenicillin Procaine Imp. D (EP)
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
Molecular Weight	334.39
Molecular Formula	C16H18N2O4S
Canonical SMILES	CC1(C)S[C@@H]2[C@H](N=C(Cc3ccccc3)N2[C@H]1C(=O)O)C(=O)O
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)/t11-,12-,13+/m0/s1

Accurate Mass	334.0987
API Family	Matrix - API Family Benzylpenicillin Procaine Monohydrate; Benzylpenicillin Potassium; Benzylpenicillin Benzathine
Format	Neat
Product Type	Impurity
Shipping	Room Temperature
Storage Conditions	+5°C
Subcategory	Impurity standards, Antibiotics, Mikromol

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