Amoxicillin Trihydrate

Analyte Name

Amoxicillin Trihydrate

CAS Number

61336-70-7

Molecular Formula

C16 H19 N3 O5 S . 3 H2 O

Molecular Weight

419.45

Accurate Mass

419.1362

SMILES

O.O.O.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O

InChI

InChI=1S/C16H19N3O5S.3H2O/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);3*1H2/t9-,10-,11+,14-;;;/m1.../s1

IUPAC

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

Alternate CAS Number

Anhydrous: 26787-78-0

Storage Temperature

-18°C

Shipping Temperature

Ice pack (-20°C)

Country of Origin

GERMANY

Product Format

Neat