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Substance Name: Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(3-(p-fluorobenzoyl)propyl)-, dl-
RN: 42021-34-1
InChIKey: YCNCIZWAGQTWBI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H26-F-N3-O

Molecular Weight

  • 391.487
 
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Names and Synonyms

Synonym

  • EINECS 255-629-5

Systematic Names

  • (1)-1-(4-Fluorophenyl)-4-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)butan-1-one
  • Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(3-(p-fluorobenzoyl)propyl)-, dl-

Registry Numbers

CAS Registry Number

  • 42021-34-1

System Generated Number

  • 0042021341

Structure Descriptors

InChI

1S/C24H26FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,26H,3,6,11-16H2

InChIKey

YCNCIZWAGQTWBI-UHFFFAOYSA-N

Smiles

C(CCC[N@@]1C[C@@H]2Cc3c([nH]c4ccccc34)C[N@@]2CC1)(=O)c1ccc(cc1)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 180mg/kg (180mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 560, 1973.