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Substance Name: Ditercalinium mesylate
RN: 99465-99-3
InChIKey: CPYOAFQSTPVJBA-UHFFFAOYSA-N

Molecular Formula

  • C46-H50-N6-O2.2C-H4-O3-S.2C-H3-O3-S

Molecular Weight

  • 1101.35
 
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Names and Synonyms

Results Name

  • Ditercalinium mesylate

Synonyms

  • Ditercalinium mesylate
  • NSC 366241

Systematic Name

  • 7H-Pyrido(4,3-c)carbazolium, 2,2'-((4,4'-bipiperidine)-1,1'-diyldi-2,1-ethanediyl)bis(10-methoxy-, dimethanesulfonate, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 99465-99-3

Other Registry Numbers

  • 105823-49-2
  • 110625-51-9
  • 111393-99-8
  • 111625-50-4
  • 116978-98-4
  • 127582-61-0
  • 127702-06-1

Related Registry Number

  • 82765-18-2 (Parent)

System Generated Number

  • 0099465993

Molecular Formulas

Molecular Formula

  • C46-H50-N6-O2.2C-H4-O3-S.2C-H3-O3-S

Molecular Formula Fragments

  • C-H3-O3-S
  • C-H4-O3-S
  • C46-H50-N6-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C46H48N6O2.4CH4O3S/c1-53-35-5-9-41-37(27-35)45-39-29-51(21-15-33(39)3-7-43(45)47-41)25-23-49-17-11-31(12-18-49)32-13-19-50(20-14-32)24-26-52-22-16-34-4-8-44-46(40(34)30-52)38-28-36(54-2)6-10-42(38)48-44;4*1-5(2,3)4/h3-10,15-16,21-22,27-32H,11-14,17-20,23-26H2,1-2H3;4*1H3,(H,2,3,4)

InChIKey

CPYOAFQSTPVJBA-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)[O-].CS(=O)(=O)[O-].[nH]1c2ccc3c(c2c2cc(ccc12)OC)c[n+](cc3)CCN1CCC(CC1)C1CCN(CC1)CC[n+]1ccc2ccc3[nH]c4ccc(cc4c3c2c1)OC