Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Pentapotassium 3-((9,10-bis(sulphonatooxy)-1-anthryl)amino)anthra(2,1,9-mna)naphth(2,3-h)acridine-5,10,15-triyl tris(sulphate)
RN: 85409-34-3
InChIKey: LOKPUPKFAXKLQF-UHFFFAOYSA-I

Molecular Formula

  • C45-H26-N2-O20-S5.5K

Molecular Weight

  • 1265.47
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 287-103-6

Systematic Names

  • Anthra(2,1,9-mna)naphth(2,3-h)acridine-5,10,15-triol, 3-((9,10-bis(sulfooxy)-1-anthracenyl)amino)-, tris(hydrogen sulfate) (ester), pentapotassium salt
  • Pentapotassium 3-((9,10-bis(sulphonatooxy)-1-anthryl)amino)anthra(2,1,9-mna)naphth(2,3-h)acridine-5,10,15-triyl tris(sulphate)

Registry Numbers

CAS Registry Number

  • 85409-34-3

System Generated Number

  • 0085409343

Molecular Formulas

Molecular Formula

  • C45-H26-N2-O20-S5.5K

Molecular Formula Fragments

  • C45-H26-N2-O20-S5
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C45H26N2O20S5.5K/c48-68(49,50)63-41-26-6-1-3-8-28(26)44(66-71(57,58)59)38-30(41)10-5-11-34(38)46-21-12-13-22-23-18-19-35-37-24(14-16-31(36(23)37)43(33(22)20-21)65-70(54,55)56)25-15-17-32-39(40(25)47-35)45(67-72(60,61)62)29-9-4-2-7-27(29)42(32)64-69(51,52)53;;;;;/h1-20,46H,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;/q;5*+1/p-5

InChIKey

LOKPUPKFAXKLQF-UHFFFAOYSA-I

Smiles

[K+].[K+].[K+].[K+].[K+].c1(cccc2c1c(OS([O-])(=O)=O)c1c(cccc1)c2OS([O-])(=O)=O)Nc1cc2c(c3ccc4c5ccc6c(c(c7ccccc7c6OS(=O)(=O)[O-])OS([O-])(=O)=O)c5nc5c4c3c(c2cc1)cc5)OS(=O)([O-])=O