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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-acetoxybutyl)-, dl-
RN: 42139-71-9
InChIKey: OGRNCYHJQPPPQW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-N3-O2

Molecular Weight

  • 341.4523
 
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Names and Synonyms

Synonyms

  • BRN 0627155
  • dl-2-(3-Acetoxybutyl)-1,2,3,4,6,7,12,12a-octahydropyrazino(2',1':6,1)pyrido(3,4-b)indole

Systematic Name

  • Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-(3-acetoxybutyl)-, dl-

Registry Numbers

CAS Registry Number

  • 42139-71-9

System Generated Number

  • 0042139719

Structure Descriptors

InChI

1S/C20H27N3O2/c1-14(25-15(2)24)7-8-22-9-10-23-13-20-18(11-16(23)12-22)17-5-3-4-6-19(17)21-20/h3-6,14,16,21H,7-13H2,1-2H3

InChIKey

OGRNCYHJQPPPQW-UHFFFAOYSA-N

Smiles

CC(CCN1CCN2Cc3c(c4ccccc4[nH]3)CC2C1)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 560, 1973.