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Ibandronic Acid-[d3] Sodium Salt

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General Information
Catalog: BLP-005877
CAS: 1329834-28-7
Molecular Formula: C9H19D3NNaO7P2
Molecular Weight: 344.23

Chemical Structure

Description	Ibandronic Acid-[d3] Sodium Salt is an isotope labelled compound of Ibandronic Acid Sodium Salt, a labelled biphosphonate bone resorption inhibitor.
Synonyms	[1-Hydroxy-3-(methyl-d3-pentylamino)propylidene]bisphosphnic Acid Sodium Salt; Ibandronate D3 Sodium Salt
IUPAC Name	sodium;hydroxy-[1-hydroxy-3-[pentyl(trideuteriomethyl)amino]-1-phosphonopropyl]phosphinate
Related CAS	138844-81-2 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])N(CCCCC)CCC(O)(P(=O)(O)O)P(=O)(O)[O-].[Na+]
Canonical SMILES	CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)[O-].[Na+]
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;
InChI Key	LXLBEOAZMZAZND-MUTAZJQDSA-M
Melting Point	>208°C (dec.)
Solubility	Slightly soluble in Aqueous Base
Appearance	White Solid
Storage	Store at -20°C