Chem
J-GLOBAL ID：200907002133701322   Nikkaji number：J265.927A

8-[[4-(Acetylamino)phenyl]amino]-5-amino-9,10-dihydro-9,10-dioxoanthracene-1,6-disulfonic acid disodium salt

8-[[4-(アセチルアミノ)フェニル]アミノ]-5-アミノ-9,10-ジヒドロ-9,10-ジオキソアントラセン-1,6-ジスルホン酸ジナトリウム
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C22H15N3Na2O9S2
Molecular formula furigana： C22-H15-N3-NA2-O9-S2
Molecular weight： 575.470
InChI： InChI=1S/C22H17N3O9S2.2Na/c1-10(26)24-11-5-7-12(8-6-11)25-14-9-16(36(32,33)34)20(23)19-18(14)22(28)17-13(21(19)27)3-2-4-15(17)35(29,30)31;;/h2-9,25H,23H2,1H3,(H,24,26)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2
InChI key： RDATXYOAATWVCR-UHFFFAOYSA-L
SMILES： CC(=O)Nc1ccc(Nc2cc(c(N)c3C(=O)c4cccc(c4C(=O)c23)S(=O)(=O)O[Na])S(=O)(=O)O[Na])cc1
Systematic name  (3)：
  • 8-[[4-(アセチルアミノ)フェニル]アミノ]-5-アミノ-9,10-ジヒドロ-9,10-ジオキソアントラセン-1,6-ジスルホン酸ジナトリウム
  • 1,6-二ナトリウム 5-アミノ-8-[(4-アセトアミドフェニル)アミノ]-9,10-ジオキソ-9,10-ジヒドロアントラセン-1,6-ジスルホナート
  • 1,6-disodium 5-amino-8-[(4-acetamidophenyl)amino]-9,10-dioxo-9,10-dihydroanthracene-1,6-disulfonate
Other name (1)：
  • 8-[[4-(Acetylamino)phenyl]amino]-5-amino-9,10-dihydro-9,10-dioxoanthracene-1,6-disulfonic acid disodium salt
CAS registry number： 6846-21-5
Regulation number (2)：
  • EINECS2299328
  • TSCA(6846-21-5)
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