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Substance Name: 9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate
RN: 85412-79-9
InChIKey: TXUQARZKYUCCOX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H13-N3.1/2H2-O

Molecular Weight

  • 295.3437
 
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Names and Synonyms

Synonyms

  • 1-(6-Quinolinyl)-9H-pyrido(3,4-b)indole hemihydrate
  • 1-(Quinolin-6'-yl)-beta-carboline hemihydrate
  • Komarovinine

Systematic Name

  • 9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate

Registry Numbers

CAS Registry Number

  • 85412-79-9

System Generated Number

  • 0085412799

Molecular Formulas

Molecular Formula

  • C20-H13-N3.1/2H2-O

Molecular Formula Fragments

  • C20-H13-N3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H13N3/c1-2-6-18-15(5-1)16-9-11-22-19(20(16)23-18)14-7-8-17-13(12-14)4-3-10-21-17/h1-12,23H

InChIKey

TXUQARZKYUCCOX-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c3ccnc(c3[nH]2)c4ccc5c(c4)cccn5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 147mg/kg (147mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 182, 1987.