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Ibandronic acid-[d3]

General Information
Catalog: BLP-013038
CAS: 1130899-41-0
Molecular Formula: C9H20D3NO7P2
Molecular Weight: 322.25
Chemical Structure
Ibandronic acid-[d3]
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

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