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Product Overview

Product Code

TRC-A634236

CAS Number

1357002-99-3

Product Format

Neat

Molecular Formula

13C2 C14 H19 15N N2 O5 S

Molecular Weight

368.383

Product Categories

TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled, Bioactive Small Molecule

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Product Information

Chemical Data

Analyte Name

Amoxicillin-13C2,15N (Mixture of Diastereomers)

CAS Number

1357002-99-3

Molecular Formula

13C2 C14 H19 15N N2 O5 S

Molecular Weight

368.383

Accurate Mass

368.108

SMILES

CC1(C)S[C@@H]2[C@H](N[13C](=O)[13CH]([15NH2])c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O

InChI

InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9?,10-,11+,14-/m1/s1/i9+1,12+1,17+1

IUPAC

(2S,5R,6R)-6-[[2-(15N)azanyl-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

SIL Type

Carbon, Nitrogen

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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