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Substance Name: Sodium 1-amino-4-((3-((hexahydro-2-oxo-1H-azepin-1-yl)methyl)-4-methoxyphenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
RN: 83027-43-4
InChIKey: BOAPGWHMCNOFEM-UHFFFAOYSA-M

Molecular Formula

  • C28-H27-N3-O7-S.Na

Molecular Weight

  • 571.5834
 
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Names and Synonyms

Synonym

  • EINECS 280-146-1

Systematic Name

  • Sodium 1-amino-4-((3-((hexahydro-2-oxo-1H-azepin-1-yl)methyl)-4-methoxyphenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 83027-43-4

System Generated Number

  • 0083027434

Molecular Formulas

Molecular Formula

  • C28-H27-N3-O7-S.Na

Molecular Formula Fragments

  • C28-H27-N3-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H27N3O7S.Na/c1-38-21-11-10-17(13-16(21)15-31-12-6-2-3-9-23(31)32)30-20-14-22(39(35,36)37)26(29)25-24(20)27(33)18-7-4-5-8-19(18)28(25)34;/h4-5,7-8,10-11,13-14,30H,2-3,6,9,12,15,29H2,1H3,(H,35,36,37);/q;+1/p-1

InChIKey

BOAPGWHMCNOFEM-UHFFFAOYSA-M

Smiles

COc1ccc(cc1CN2CCCCCC2=O)Nc3cc(c(c4c3C(=O)c5ccccc5C4=O)N)S(=O)(=O)[O-].[Na+]