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Substance Name: Phenanthridinium, 6,6'-(oxybis(2,1-ethanediyloxy-3,1-phenylene)bis(3,8-diamino-5-methyl-, dibromide
RN: 79080-83-4
InChIKey: KVOAADWZAVKOLX-UHFFFAOYSA-N

Molecular Formula

  • C44-H42-N6-O3.2Br

Molecular Weight

  • 862.663
 
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Names and Synonyms

Synonym

  • NSC 319091

Systematic Name

  • Phenanthridinium, 6,6'-(oxybis(2,1-ethanediyloxy-3,1-phenylene)bis(3,8-diamino-5-methyl-, dibromide

Registry Numbers

CAS Registry Number

  • 79080-83-4

System Generated Number

  • 0079080834

Molecular Formulas

Molecular Formula

  • C44-H42-N6-O3.2Br

Molecular Formula Fragments

  • Br
  • C44-H42-N6-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C44H40N6O3.2BrH/c1-49-41-25-31(47)11-15-37(41)35-13-9-29(45)23-39(35)43(49)27-5-3-7-33(21-27)52-19-17-51-18-20-53-34-8-4-6-28(22-34)44-40-24-30(46)10-14-36(40)38-16-12-32(48)26-42(38)50(44)2;;/h3-16,21-26,47-48H,17-20,45-46H2,1-2H3;2*1H

InChIKey

KVOAADWZAVKOLX-UHFFFAOYSA-N

Smiles

[n+]1(c(c2cc(N)ccc2c2c1cc(N)cc2)c1cc(OCCOCCOc2cc(c3[n+](c4c(ccc(c4)N)c4c3cc(cc4)N)C)ccc2)ccc1)C.[BrH-].[BrH-]