Analyte Name

Amoxicillin Dimer Sodium Salt

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

34642-77-8; Free acid: 26787-78-0

Storage Temperature

-20°C

Shipping Temperature

Blue Ice

Country of Origin

CANADA

Product Type

Impurity; API

Product Format

Neat

API Family

Amoxicillin