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Substance Name: 1,3-Propanedisulfonanilide, 4',4''-bis(9-acridinylamino)-, dihydrochloride, hemihydrate
RN: 66725-14-2
InChIKey: SJGXIVCUYPNFTL-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formulas

  • C41-H34-N6-O4-S2.2Cl-H
  • C41-H34-N6-O4-S2.2Cl-H.1/2H2-O

Molecular Weight

  • 811.811
 
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Names and Synonyms

  • 1,3-Propanedisulfonanilide, 4',4''-bis(9-acridinylamino)-, dihydrochloride, hemihydrate

Registry Numbers

CAS Registry Number

  • 66725-14-2

System Generated Number

  • 0066725142

Molecular Formulas

Molecular Formulas

  • C41-H34-N6-O4-S2.2Cl-H
  • C41-H34-N6-O4-S2.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C41-H34-N6-O4-S2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C41H34N6O4S2.2ClH/c48-52(49,46-30-22-18-28(19-23-30)42-40-32-10-1-5-14-36(32)44-37-15-6-2-11-33(37)40)26-9-27-53(50,51)47-31-24-20-29(21-25-31)43-41-34-12-3-7-16-38(34)45-39-17-8-4-13-35(39)41;;/h1-8,10-25,46-47H,9,26-27H2,(H,42,44)(H,43,45);2*1H

InChIKey

SJGXIVCUYPNFTL-UHFFFAOYSA-N

Smiles

C(S(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2ccccc12)CCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2ccccc12.Cl.Cl