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(BENZTHIAZOL-2-YL)-AMINOMETHYLENEBISPHOSPHONIC-ACID

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(BENZTHIAZOL-2-YL)-AMINOMETHYLENEBISPHOSPHONIC-ACID
SpectraBase Compound ID 7OaKJNC3UKV
InChI InChI=1S/C8H10N2O6P2S/c11-17(12,13)8(18(14,15)16)10-7-9-5-3-1-2-4-6(5)19-7/h1-4,8H,(H,9,10)(H2,11,12,13)(H2,14,15,16)
InChIKey WDRFJYZCRXWXDE-UHFFFAOYSA-N
Mol Weight 324.18 g/mol
Molecular Formula C8H10N2O6P2S
Exact Mass 323.973481 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1daws2PcWZS
Name (BENZTHIAZOL-2-YL)-AMINOMETHYLENEBISPHOSPHONIC-ACID
Compound Number 8N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H6N2O6P2S
InChI InChI=1S/C8H10N2O6P2S/c11-17(12,13)8(18(14,15)16)10-7-9-5-3-1-2-4-6(5)19-7/h1-4,8H,(H,9,10)(H2,11,12,13)(H2,14,15,16)
InChIKey WDRFJYZCRXWXDE-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 UWLU53082