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Substance Name: Berberrubine
RN: 15401-69-1
InChIKey: GYFSYEVKFOOLFZ-UHFFFAOYSA-N

Note

  • A protoberberine alkaloid antitumor agent which exhibits topoisomerase II poison activity as well as catalytic inhibition activity.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H16-N-O4.Cl

Molecular Weight

  • 357.791
 
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Names and Synonyms

Name of Substance

  • Berberrubine

Synonyms

  • 5,6-Dihydro-9-hydroxy-10-methoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium chloride
  • 9-Berberoline chloride
  • Berberrubine chloride
  • Beroline chloride

Systematic Names

  • Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9-hydroxy-10-methoxy-, chloride
  • Berbinium, 7,8,13,13a-tetradehydro-9-hydroxy-10-methoxy-2,3-(methylenedioxy)-, chloride (8CI)

Registry Numbers

CAS Registry Number

  • 15401-69-1

System Generated Number

  • 0015401691

Molecular Formulas

Molecular Formula

  • C19-H16-N-O4.Cl

Molecular Formula Fragments

  • C19-H16-N-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C19H15NO4.ClH/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21;/h2-3,6-9H,4-5,10H2,1H3;1H

InChIKey

GYFSYEVKFOOLFZ-UHFFFAOYSA-N

Smiles

[n+]12c(c3cc4OCOc4cc3CC2)cc2c(c1)c(c(OC)cc2)O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 350mg/kg (350mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 856, 1988.