Amoxicillin-d4 (Major)

Analyte Name

Amoxicillin-d4

CAS Number

2673270-36-3

Molecular Formula

C16 D4 H15 N3 O5 S

Molecular Weight

369.4288

Accurate Mass

369.1296

SMILES

[2H]c1c([2H])c([C@@H](N)C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c([2H])c([2H])c1O

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/i3D,4D,5D,6D

IUPAC

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

Unlabelled CAS Number

26787-78-0

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

API Family

Amoxicillin