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

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1-Hydroxy-3-[methyl-(3-phenoxypropyl)-amino]-propylidene-1,1-bisphosphonic-acid
SpectraBase Compound ID J4xm2p34w4y
InChI InChI=1S/C13H23NO8P2/c1-14(9-5-11-22-12-6-3-2-4-7-12)10-8-13(15,23(16,17)18)24(19,20)21/h2-4,6-7,15H,5,8-11H2,1H3,(H2,16,17,18)(H2,19,20,21)
InChIKey ASMGFLAYDQSOPU-UHFFFAOYSA-N
Mol Weight 383.27 g/mol
Molecular Formula C13H23NO8P2
Exact Mass 383.089891 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EVOa4PKecq8
Name 1-HYDROXY-3-[METHYL-(3-PHENOXYPROPYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 5D
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H19NO8P2
InChI InChI=1S/C13H23NO8P2/c1-14(9-5-11-22-12-6-3-2-4-7-12)10-8-13(15,23(16,17)18)24(19,20)21/h2-4,6-7,15H,5,8-11H2,1H3,(H2,16,17,18)(H2,19,20,21)
InChIKey ASMGFLAYDQSOPU-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 UWLU53038