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1-Hydroxy-3-[methyl-(4-phenoxybutyl)-amino]-propylidene-1,1-bisphosphonic-acid

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1-Hydroxy-3-[methyl-(4-phenoxybutyl)-amino]-propylidene-1,1-bisphosphonic-acid
SpectraBase Compound ID BlWzBTkWcrq
InChI InChI=1S/C14H25NO8P2/c1-15(10-5-6-12-23-13-7-3-2-4-8-13)11-9-14(16,24(17,18)19)25(20,21)22/h2-4,7-8,16H,5-6,9-12H2,1H3,(H2,17,18,19)(H2,20,21,22)
InChIKey PHJKOHNOPDCMQN-UHFFFAOYSA-N
Mol Weight 397.3 g/mol
Molecular Formula C14H25NO8P2
Exact Mass 397.105541 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5URQQSJlHoi
Name 1-HYDROXY-3-[METHYL-(4-PHENOXYBUTYL)-AMINO]-PROPYLIDENE-1,1-BISPHOSPHONIC-ACID
Compound Number 5L
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H21NO8P2
InChI InChI=1S/C14H25NO8P2/c1-15(10-5-6-12-23-13-7-3-2-4-8-13)11-9-14(16,24(17,18)19)25(20,21)22/h2-4,7-8,16H,5-6,9-12H2,1H3,(H2,17,18,19)(H2,20,21,22)
InChIKey PHJKOHNOPDCMQN-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 UWLU53046