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Substance Name: 1,6-Hexanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dihydrochloride, tetrahydrate
RN: 66757-02-6
InChIKey: BQXGZFTUPXQZHK-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C46-H44-N6-O6-S2.2Cl-H.4H2-O

Molecular Weight

  • 913.943
 
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Names and Synonyms

  • 1,6-Hexanedisulfon-m-anisidide, 4',4''-bis(9-acridinylamino)-, dihydrochloride, tetrahydrate

Registry Numbers

CAS Registry Number

  • 66757-02-6

System Generated Number

  • 0066757026

Molecular Formulas

Molecular Formula

  • C46-H44-N6-O6-S2.2Cl-H.4H2-O

Molecular Formula Fragments

  • C46-H44-N6-O6-S2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C46H44N6O6S2.2ClH/c1-57-43-29-31(23-25-41(43)49-45-33-15-5-9-19-37(33)47-38-20-10-6-16-34(38)45)51-59(53,54)27-13-3-4-14-28-60(55,56)52-32-24-26-42(44(30-32)58-2)50-46-35-17-7-11-21-39(35)48-40-22-12-8-18-36(40)46;;/h5-12,15-26,29-30,51-52H,3-4,13-14,27-28H2,1-2H3,(H,47,49)(H,48,50);2*1H

InChIKey

BQXGZFTUPXQZHK-UHFFFAOYSA-N

Smiles

c1(c2c(nc3c1cccc3)cccc2)Nc1c(cc([NH+]S(CCCCCCS([NH+]c2cc(c(Nc3c4c(nc5c3cccc5)cccc4)cc2)OC)(=O)=O)(=O)=O)cc1)OC.[ClH-].[ClH-]