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Substance Name: Ditercalinium chloride [INN]
RN: 74517-42-3
UNII: 40Z22S8DO8
InChIKey: FWBSWSRNGHRDFZ-UHFFFAOYSA-N

Molecular Formula

  • C46-H50-Cl2-N6-O2

Molecular Weight

  • 789.847
 
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Names and Synonyms

Name of Substance

  • Ditercalinium chloride [INN]

Synonyms

  • 2,2'-((4,4'-Bipiperidine)-1,1'-diyldiethylene)bis(10-methoxy-7H-pyrido(4,3-c)carbazolium) dichloride
  • Chlorure de ditercalinium
  • Chlorure de ditercalinium [INN-French]
  • Cloruro de ditercalinio
  • Cloruro de ditercalinio [INN-Spanish]
  • Ditercalinii chloridum
  • Ditercalinii chloridum [INN-Latin]
  • Ditercalinium chloride
  • NSC 335153
  • UNII-40Z22S8DO8

Systematic Names

  • 2,2'-((4,4'-Bipiperidine)-1,1'-diyldiethylene)bis(10-methoxy-7H-pyrido(4,3-c)carbazolium) dichloride
  • 7H-pyrido(4,3-c)carbazolium, 2,2'-((4,4'-bipiperidine)-1,1'-diyldiethylene)bis(10-methoxy-, dichloride

Registry Numbers

CAS Registry Number

  • 74517-42-3

FDA UNII

  • 40Z22S8DO8

Related Registry Number

  • 82765-18-2 (Parent)

System Generated Number

  • 0074517423

Structure Descriptors

InChI

1S/C46H48N6O2.2ClH/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;;/h3-10,15-16,21-22,27-32H,11-14,17-20,23-26H2,1-2H3;2*1H

InChIKey

FWBSWSRNGHRDFZ-UHFFFAOYSA-N

Smiles

c12c(ccc3cc[n+](cc13)CCN1CCC(C3CCN(CC[n+]4ccc5c(c4)c4c6c(ccc(c6)OC)[nH]c4cc5)CC3)CC1)[nH]c1c2cc(cc1)OC.[ClH-].[ClH-]