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Substance Name: Ditercalinium
RN: 82765-18-2
UNII: VFS4ZUK33P
InChIKey: NHUWXMNVGMRODJ-UHFFFAOYSA-P

Classification Codes

  • Antineoplastic Agents
  • Indicators and Reagents
  • Intercalating Agents

Molecular Formula

  • C46-H50-N6-O2

Molecular Weight

  • 718.941
 
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Names and Synonyms

Name of Substance

  • Ditercalinium

Synonyms

  • 2,2'-((4,4'-Bipiperidine)-1,1'-diyldi-2,1-ethanediyl)bis(10-methoxy-7H-pyrido(4,3-c)carbazolium)
  • Ditercalinio
  • Ditercalinio [Spanish]
  • NSC 335153
  • UNII-VFS4ZUK33P

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 82765-18-2

FDA UNII

  • VFS4ZUK33P

Related Registry Numbers

  • 72250-86-3 (acetate)
  • 74517-42-3 (chloride)
  • 75413-56-8 (chloride diHCl)
  • 99465-99-3 (dimethanesulfonate)

System Generated Number

  • 0082765182

Structure Descriptors

InChI

1S/C46H48N6O2/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/p+2

InChIKey

NHUWXMNVGMRODJ-UHFFFAOYSA-P

Smiles

COc1ccc2c(c1)c3c([nH]2)ccc4c3c[n+](cc4)CCN5CCC(CC5)C6CCN(CC6)CC[n+]7ccc8ccc9c(c8c7)c1cc(ccc1[nH]9)OC