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SODIUM_1-AMINO-4-(2-ANTHRACENYLAMINO)-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONATE

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SODIUM_1-AMINO-4-(2-ANTHRACENYLAMINO)-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONATE
SpectraBase Compound ID 6QNfLQKAr91
InChI InChI=1S/C28H18N2O5S.Na/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)21-8-4-3-7-20(21)27(24)31)30-19-10-9-17-11-15-5-1-2-6-16(15)12-18(17)13-19;/h1-14,30H,29H2,(H,33,34,35);/q;+1/p-1
InChIKey YFKPIPRCPCDQAK-UHFFFAOYSA-M
Mol Weight 516.5 g/mol
Molecular Formula C28H17N2NaO5S
Exact Mass 516.075587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CohRV5Xvh9I
Name SODIUM_1-AMINO-4-(2-ANTHRACENYLAMINO)-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-SULFONATE
Compound Number 52
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H17N2NaO5S
InChI InChI=1S/C28H18N2O5S.Na/c29-26-23(36(33,34)35)14-22(24-25(26)28(32)21-8-4-3-7-20(21)27(24)31)30-19-10-9-17-11-15-5-1-2-6-16(15)12-18(17)13-19;/h1-14,30H,29H2,(H,33,34,35);/q;+1/p-1
InChIKey YFKPIPRCPCDQAK-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 516.503 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46536