Product Information
Chemical Data
Analyte Name
Amoxicillin Dimer Sodium Salt
CAS Number
34642-77-8
Molecular Formula
C32H38N6O10S2 (x Na)
Molecular Weight
387.4
Accurate Mass
387.0865
SMILES
O=C(NC(C(N[C@H](C1=CC=C(O)C=C1)C(N[C@]([C@@]2(N[C@@H](C(O[Na])=O)C(C)(C)S2)[H])([H])C(O[Na])=O)=O)=O)[C@]3([H])N[C@@H](C(O[Na])=O)C(C)(C)S3)C(N)C4=CC=C(O)C=C4
InChI
InChI=1S/C32H38N6O10S2/c1-31(2)21(29(45)46)37-26(49-31)19(35-23(41)17(33)13-5-9-15(39)10-6-13)25(43)34-18(14-7-11-16(40)12-8-14)24(42)36-20-27(44)38-22(30(47)48)32(3,4)50-28(20)38/h5-12,17-22,26,28,37,39-40H,33H2,1-4H3,(H,34,43)(H,35,41)(H,36,42)(H,45,46)(H,47,48)/t17-,18-,19+,20-,21+,22+,26-,28-/m1/s1
IUPAC
(2R)-(2R)-2-(4-Hydroxyphenyl)glycyl-(2S)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl]glycyl-N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-(4-hydroxyphenyl)glycinamide Sodium Salt; [2(2R-trans),3[2S-(2a,5a,6ß)]]-D-2-(4-hydroxyphenyl)glycyl-L-2-(4-carboxy-5,5-dimethyl-2-thiazolidinyl)glycyl-N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl)-D-2-(4-hydroxyphenyl)glycinamide Sodium Salt; Amoxicillin USP Related Compound J Sodium Salt
Alternate CAS Number
Free acid: 73590-06-4
Product Data
Storage Temperature
-20°C
Shipping Temperature
Blue Ice
Country of Origin
CANADA
Product Type
Impurity
Product Format
Neat
API Family
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