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Ibandronic acid-[d3]

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General Information
Catalog: BLP-013038
CAS: 1130899-41-0
Molecular Formula: C9H20D3NO7P2
Molecular Weight: 322.25

Chemical Structure

Description	Ibandronic acid-[d3] is the labelled analogue of Ibandronic acid, which is a highly potent nitrogen-containing bisphosphonate used for the treatment of osteoporosis.
Synonyms	Ibandronic acid D3; P,P'-[1-Hydroxy-3-[(methyl-d3)pentylamino]propylidene]bisphosphonic Acid; BPH 24-d3; Ibandronate-d3; [1-Hydroxy-3-[(methyl-d3)pentylamino]propylidene]diphosphonic Acid
IUPAC Name	[1-hydroxy-3-[pentyl(trideuteriomethyl)amino]-1-phosphonopropyl]phosphonic acid
Related CAS	114084-78-5 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])N(CCCCC)CCC(O)(P(=O)(O)O)P(=O)(O)O
Canonical SMILES	CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
InChI	InChI=1S/C9H23NO7P2/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)/i2D3
InChI Key	MPBVHIBUJCELCL-BMSJAHLVSA-N
Melting Point	>132°C
Purity	≥95%; ≥95% atom D
Solubility	Soluble in Aqueous Base (Slightly), Methanol (Slightly), Water (Slightly)
Appearance	White Solid
Storage	Store at -20°C under inert atmosphere