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1-HYDROXY-3-(DIMETHYLAMINO)-BUTYLIDENE-1,1-BISPHOSPHONIC-ACID;OLPADRONATE
SpectraBase Compound ID KHglavwStVp
InChI InChI=1S/C6H17NO7P2/c1-5(7(2)3)4-6(8,15(9,10)11)16(12,13)14/h5,8H,4H2,1-3H3,(H2,9,10,11)(H2,12,13,14)
InChIKey XKPWGVCGUSLWGJ-UHFFFAOYSA-N
Mol Weight 277.15 g/mol
Molecular Formula C6H17NO7P2
Exact Mass 277.048026 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fp1oNRTDfjD
Name 1-HYDROXY-3-(DIMETHYLAMINO)-BUTYLIDENE-1,1-BISPHOSPHONIC-ACID;OLPADRONATE
Compound Number 1O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H13NO7P2
InChI InChI=1S/C6H17NO7P2/c1-5(7(2)3)4-6(8,15(9,10)11)16(12,13)14/h5,8H,4H2,1-3H3,(H2,9,10,11)(H2,12,13,14)
InChIKey XKPWGVCGUSLWGJ-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 UWLU53085