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Substance Name: Phenanthridinium, 6,6'-(1,7-heptanediylbis(oxy-3,1-phenylene))bis(3,8-diamino-5-methyl-, dibromide
RN: 79053-81-9
InChIKey: LAGWYFIXLVDZJL-UHFFFAOYSA-N

Molecular Formula

  • C47-H48-N6-O2.2Br

Molecular Weight

  • 888.744
 
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Names and Synonyms

Synonym

  • NSC 315843

Systematic Name

  • Phenanthridinium, 6,6'-(1,7-heptanediylbis(oxy-3,1-phenylene))bis(3,8-diamino-5-methyl-, dibromide

Registry Numbers

CAS Registry Number

  • 79053-81-9

System Generated Number

  • 0079053819

Molecular Formulas

Molecular Formula

  • C47-H48-N6-O2.2Br

Molecular Formula Fragments

  • Br
  • C47-H48-N6-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C47H46N6O2.2BrH/c1-52-44-28-34(50)16-20-40(44)38-18-14-32(48)26-42(38)46(52)30-10-8-12-36(24-30)54-22-6-4-3-5-7-23-55-37-13-9-11-31(25-37)47-43-27-33(49)15-19-39(43)41-21-17-35(51)29-45(41)53(47)2;;/h8-21,24-29,50-51H,3-7,22-23,48-49H2,1-2H3;2*1H

InChIKey

LAGWYFIXLVDZJL-UHFFFAOYSA-N

Smiles

[BrH-].c1(cc(ccc1)OCCCCCCCOc1cc(c2c3c(c4c(cc(cc4)N)[n+]2C)ccc(c3)N)ccc1)c1c2c(c3c([n+]1C)cc(cc3)N)ccc(N)c2.[BrH-]