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1-HYDROXY-3-[METHYL-(3-(4-METHOXYPHENOXY)-PROPYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
SpectraBase Compound ID G2QpdNPf4uy
InChI InChI=1S/C14H25NO9P2/c1-15(10-8-14(16,25(17,18)19)26(20,21)22)9-3-11-24-13-6-4-12(23-2)5-7-13/h4-7,16H,3,8-11H2,1-2H3,(H2,17,18,19)(H2,20,21,22)
InChIKey ZUEWACIUWCRHMM-UHFFFAOYSA-N
Mol Weight 413.3 g/mol
Molecular Formula C14H25NO9P2
Exact Mass 413.100455 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eqgg9oXLPYG
Name 1-HYDROXY-3-[METHYL-(3-(4-METHOXYPHENOXY)-PROPYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 5H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H21NO9P2
InChI InChI=1S/C14H25NO9P2/c1-15(10-8-14(16,25(17,18)19)26(20,21)22)9-3-11-24-13-6-4-12(23-2)5-7-13/h4-7,16H,3,8-11H2,1-2H3,(H2,17,18,19)(H2,20,21,22)
InChIKey ZUEWACIUWCRHMM-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 UWLU53042