Analyte Name

Alendronic Acid-d6 Sodium Salt Hydrate

Molecular Formula

C4H6D6NNaO7P2 xH2O

Molecular Weight

277.11

SMILES

O.[Na+].[2H]C([2H])(N)C([2H])([2H])C([2H])([2H])C(O)(P(=O)(O)O)P(=O)(O)[O-]

InChI

InChI=1S/C4H13NO7P2.Na.H2O/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;;/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);;1H2/q;+1;/p-1/i1D2,2D2,3D2;;

IUPAC

sodium;(4-amino-2,2,3,3,4,4-hexadeuterio-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate;hydrate

Alternate CAS Number

Anhydrous: 1148112-64-4

Unlabelled CAS Number

Anhydrous: 129318-43-0

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; Bioactive Small Molecule; API

Product Format

Neat

API Family

Alendronic Acid