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SODIUM_1-AMINO-4-(4-AMINOPHENYLAMINO)-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONATE
SpectraBase Compound ID A1kHN2qq4rf
InChI InChI=1S/C20H15N3O5S.Na/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25;/h1-9,23H,21-22H2,(H,26,27,28);/q;+1/p-1
InChIKey BRJFZCXWKYXAOE-UHFFFAOYSA-M
Mol Weight 431.4 g/mol
Molecular Formula C20H14N3NaO5S
Exact Mass 431.055186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GMTrnk8yMl4
Name SODIUM_1-AMINO-4-(4-AMINOPHENYLAMINO)-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONATE
Compound Number 33
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H14N3NaO5S
InChI InChI=1S/C20H15N3O5S.Na/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25;/h1-9,23H,21-22H2,(H,26,27,28);/q;+1/p-1
InChIKey BRJFZCXWKYXAOE-UHFFFAOYSA-M
Literature Reference Author Y.BAQI,S.Y.LEE,J.IQBAL,P.RIPPHAUSEN,A.LEHR,A.B.SCHEIFF,H.ZIM MERMANN,J.BAJORATH,C
Literature Reference Citation J.MED.CHEM.,53,2076(2010)
Literature Reference DOI 10.1021/jm901851t
Molecular Weight 431.398 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46534