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SODIUM_1-AMINO-4-[4-(4,6-DIHYDROXY-[1.3.5]-TRIAZINE-2-YLAMINO)-PHENYLAMINO]-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONATE

View entire compound with spectra: 1 NMR

SODIUM_1-AMINO-4-[4-(4,6-DIHYDROXY-[1.3.5]-TRIAZINE-2-YLAMINO)-PHENYLAMINO]-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONATE
SpectraBase Compound ID 4nCAF2ZIMyC
InChI InChI=1S/C23H16N6O7S.Na/c24-18-15(37(34,35)36)9-14(16-17(18)20(31)13-4-2-1-3-12(13)19(16)30)25-10-5-7-11(8-6-10)26-21-27-22(32)29-23(33)28-21;/h1-9,25H,24H2,(H,34,35,36)(H3,26,27,28,29,32,33);/q;+1/p-1
InChIKey GJMBLLXANUDGDH-UHFFFAOYSA-M
Mol Weight 542.46 g/mol
Molecular Formula C23H15N6NaO7S
Exact Mass 542.062062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BRczWDRF2Sm
Name SODIUM_1-AMINO-4-[4-(4,6-DIHYDROXY-[1.3.5]-TRIAZINE-2-YLAMINO)-PHENYLAMINO]-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONATE
Compound Number 65
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H15N6NaO7S
InChI InChI=1S/C23H16N6O7S.Na/c24-18-15(37(34,35)36)9-14(16-17(18)20(31)13-4-2-1-3-12(13)19(16)30)25-10-5-7-11(8-6-10)26-21-27-22(32)29-23(33)28-21;/h1-9,25H,24H2,(H,34,35,36)(H3,26,27,28,29,32,33);/q;+1/p-1
InChIKey GJMBLLXANUDGDH-UHFFFAOYSA-M
Literature Reference Author Y.BAQI,R.HAUSMANN,C.ROSEFORT,J.RETTINGER,G.SCHMALZING,C.E.MU ELLER
Literature Reference Citation J.MED.CHEM.,54,817(2011)
Literature Reference DOI 10.1021/jm1012193
Molecular Weight 542.458 g/mol
Solvent DMSO-D6
Source File Reference UWMZ47007