(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)
Product Code
MM0160.07
CAS Number
EP Description
Benzylpenicillin Benzathine Impurity D, Benzylpenicillin Potassium Impurity D, Benzylpenicillin Procaine Impurity D, Carbenicillin Sodium Impurity I
Product Format
Neat
Molecular Formula
C16 H18 N2 O4 S
Molecular Weight
334.39
API Family
Benzylpenicillin Benzathine, Benzylpenicillin Potassium, Benzylpenicillin Procaine MonohydrateProduct Categories
Product Type
ImpurityDrug Type
Antibacterials
Price and availability
Documentation
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Product Information
Product Data
Analyte Name
(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 Number
13093-87-3
Molecular Formula
C16 H18 N2 O4 S
Molecular Weight
334.39
Accurate Mass
334.0987
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
IUPAC
(3S,7R,7aR)-5-benzyl-2,2-dimethyl-7,7a-dihydro-3H-imidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid
Storage & Transport Information
Storage Temperature
+5°C
Shipping Temperature
Room Temperature
Country of Origin
GERMANY
Product Attributes
Product Type
Impurity
Product Format
Neat
Impurity Type
Degradation Product; Intermediate
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