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1-HYDROXY-3-(METHYLPENTYLAMINO)-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID;IBANDRONATE
SpectraBase Compound ID HtF1H3hUCH8
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)
InChIKey MPBVHIBUJCELCL-UHFFFAOYSA-N
Mol Weight 319.23 g/mol
Molecular Formula C9H23NO7P2
Exact Mass 319.094976 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LBeU1Dejz4N
Name 1-HYDROXY-3-(METHYLPENTYLAMINO)-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID;IBANDRONATE
Compound Number 1K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H19NO7P2
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)
InChIKey MPBVHIBUJCELCL-UHFFFAOYSA-N
Literature Reference Author L.WIDLER,K.A.JAEGGI,M.GLATT,K.MUELLER,R.BACHMANN,M.BISPING,A .R.BORN,R.CORTESI,G.
Literature Reference Citation J.MED.CHEM.,45,3721(2002)
Literature Reference DOI 10.1021/jm020819i
Solvent NAOD:D2O=1:20
Source File Reference UWLU53004