Amoxicilloic Acid Dimer (Mixture of Diastereomers)
Product Code
TRC-A612475
Product Format
Neat
Molecular Formula
C31 H40 N6 O9 S2
Molecular Weight
704.81
Product Categories
TRC, Impurity Reference Materials , Antibacterial, Antibiotics, Penicillins, Interferes with protein synthesis, Pharmaceutical Toxicology Reference Materials
Purity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
Amoxicilloic Acid Dimer (Mixture of Diastereomers)
Molecular Formula
C31 H40 N6 O9 S2
Molecular Weight
704.81
Accurate Mass
704.2298
SMILES
CC1(C)SC(CNC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](N)c2ccc(O)cc2)[C@H]3N[C@@H](C(=O)O)C(C)(C)S3)c4ccc(O)cc4)N[C@H]1C(=O)O
InChI
InChI=1S/C31H40N6O9S2/c1-30(2)22(28(43)44)34-18(47-30)13-33-25(41)20(15-7-11-17(39)12-8-15)35-26(42)21(27-37-23(29(45)46)31(3,4)48-27)36-24(40)19(32)14-5-9-16(38)10-6-14/h5-12,18-23,27,34,37-39H,13,32H2,1-4H3,(H,33,41)(H,35,42)(H,36,40)(H,43,44)(H,45,46)/t18?,19-,20-,21-,22+,23+,27+/m1/s1
IUPAC
(4S)-2-[[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-2-[(2S,4S)-4-carboxy-5,5-dimethyl-thiazolidin-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]methyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid
Product Data
Storage Temperature
-20°C
Shipping Temperature
Blue Ice Dry Pack
Country of Origin
CANADA
Product Format
Neat
Purity
>95% (HPLC)