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Product Overview

Product Code

TRC-I120002

CAS Number

1329834-28-7

Product Format

Neat

Molecular Formula

C9 D3 H19 N O7 P2 . Na

Molecular Weight

344.23

API Family

Ibandronic Acid

Product Categories

TRC, Enzyme inhibitors, Stable isotopes

Product Type

Stable Isotope Labelled, Bioactive Small Molecule

Unlabelled CAS Number

138844-81-2

Documentation

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Product Information

Chemical Data

Analyte Name

Ibandronic Acid-d3 sodium salt

CAS Number

1329834-28-7

Molecular Formula

C9 D3 H19 N O7 P2 . Na

Molecular Weight

344.23

Accurate Mass

344.0958

SMILES

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

InChI

InChI=1S/C9H23NO7P2.Na/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17;/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17);/q;+1/p-1/i2D3;

IUPAC

sodium;hydroxy-[1-hydroxy-3-[pentyl(trideuteriomethyl)amino]-1-phosphono-propyl]phosphinate

Unlabelled CAS Number

138844-81-2

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

API Family

Ibandronic Acid

Product Description

A labelled biphosphonate bone resorption inhibitor.

References: Muhlbauer, R.C., et al.: J. Bone Miner. Res., 6, 1003 (1991), Pecherstorfer, M., et al.: J. Clin. Oncol., 14, 268 (1996), Ravn, P., et al.: Bone, 19, 527 (1996)

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Ibandronic Acid-d3 Sodium Salt

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