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CLAVATADINE_D;N-(5-{[AMINO-(IMINO)-METHYL]-AMINO}-PENTYL)-7,9-DIBROMO-8-OXO-1-OXA-2-AZASPIRO-[4.5]-DECA-2,6,9-TRIENE-3-CARBOXAMIDE
SpectraBase Compound ID I4jQ9eBteaO
InChI InChI=1S/C15H19Br2N5O3/c16-9-6-15(7-10(17)12(9)23)8-11(22-25-15)13(24)20-4-2-1-3-5-21-14(18)19/h6-7H,1-5,8H2,(H,20,24)(H4,18,19,21)
InChIKey OTXDUXAJSDNSCU-UHFFFAOYSA-N
Mol Weight 477.16 g/mol
Molecular Formula C15H19Br2N5O3
Exact Mass 474.985465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 55LeDs8eIjz
Name CLAVATADINE_D;N-(5-{[AMINO-(IMINO)-METHYL]-AMINO}-PENTYL)-7,9-DIBROMO-8-OXO-1-OXA-2-AZASPIRO-[4.5]-DECA-2,6,9-TRIENE-3-CARBOXAMIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H19Br2N5O3
InChI InChI=1S/C15H19Br2N5O3/c16-9-6-15(7-10(17)12(9)23)8-11(22-25-15)13(24)20-4-2-1-3-5-21-14(18)19/h6-7H,1-5,8H2,(H,20,24)(H4,18,19,21)
InChIKey OTXDUXAJSDNSCU-UHFFFAOYSA-N
Literature Reference Author M.S.BUCHANAN,A.R.CARROLL,D.WESSLING,M.JOBLING,V.M.AVERY,R.A. DAVIS,Y.FENG,J.N.A.H
Literature Reference Citation J.NAT.PROD.,72,973(2009)
Literature Reference DOI 10.1021/np8008013
Molecular Weight 477.156 g/mol
Sample ID 32640
Solvent DMSO-D6