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Substance Name: Coralyne
RN: 6872-73-7
InChIKey: PDYBUYVOPAJLKP-UHFFFAOYSA-M

Note

  • At this time it is not known for which salt NSC-154890 is synonym; DNA topoisomerse antagonist.

Classification Code

  • Mutation Data

Molecular Formula

  • C22-H22-N-O4.Cl

Molecular Weight

  • 399.872
 
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Names and Synonyms

Name of Substance

  • Coralyne

Synonyms

  • 5,6,7,8,13,13a-Hexadehydro-8-methyl-2,3,10,11-tetramethoxyberbinium chloride
  • Coralyne

Systematic Names

  • 5,6,7,8,13,13a-Hexahydro-8-methyl-2,3,10,11-tetramethoxyberbinium
  • Berbinium, 5,6,7,8,13,13a-hexadehydro-2,3,10,11-tetramethoxy-8-methyl-, chloride

Registry Numbers

CAS Registry Number

  • 6872-73-7

Related Registry Numbers

  • 38989-37-6 (sulfoacetate)
  • 38989-38-7 (chloride)

System Generated Number

  • 0006872737

Molecular Formulas

Molecular Formula

  • C22-H22-N-O4.Cl

Molecular Formula Fragments

  • C22-H22-N-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C22H22NO4.ClH/c1-13-16-11-21(26-4)20(25-3)10-15(16)8-18-17-12-22(27-5)19(24-2)9-14(17)6-7-23(13)18;/h6-12H,1-5H3;1H/q+1;/p-1

InChIKey

PDYBUYVOPAJLKP-UHFFFAOYSA-M

Smiles

c12c3c(cc(OC)c(c3)OC)cc[n+]1c(c1cc(OC)c(cc1c2)OC)C.[ClH-]