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1-Hydroxy-3-[propyl-(3-phenoxypropyl)-amino]-propylidene-1,1-bisphosphonic-acid

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1-Hydroxy-3-[propyl-(3-phenoxypropyl)-amino]-propylidene-1,1-bisphosphonic-acid
SpectraBase Compound ID watpGHQZ6C
InChI InChI=1S/C15H27NO8P2/c1-2-10-16(11-6-13-24-14-7-4-3-5-8-14)12-9-15(17,25(18,19)20)26(21,22)23/h3-5,7-8,17H,2,6,9-13H2,1H3,(H2,18,19,20)(H2,21,22,23)
InChIKey FUNWIKRSYZJMJY-UHFFFAOYSA-N
Mol Weight 411.33 g/mol
Molecular Formula C15H27NO8P2
Exact Mass 411.121191 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7t1kck9QB0k
Name 1-HYDROXY-3-[PROPYL-(3-PHENOXYPROPYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 5J
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H23NO8P2
InChI InChI=1S/C15H27NO8P2/c1-2-10-16(11-6-13-24-14-7-4-3-5-8-14)12-9-15(17,25(18,19)20)26(21,22)23/h3-5,7-8,17H,2,6,9-13H2,1H3,(H2,18,19,20)(H2,21,22,23)
InChIKey FUNWIKRSYZJMJY-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 UWLU53044