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Substance Name: Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-ethanamine, 3,4,6,7,12,12a-hexahydro-N-((4-fluorophenyl)phenylmethyl)-
RN: 72593-38-5
InChIKey: NKQUNUDFTBHYSF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H31-F-N4

Molecular Weight

  • 454.5899
 
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Names and Synonyms

Synonym

  • BRN 4599381

Systematic Name

  • Pyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1H)-ethanamine, 3,4,6,7,12,12a-hexahydro-N-((4-fluorophenyl)phenylmethyl)-

Registry Numbers

CAS Registry Number

  • 72593-38-5

System Generated Number

  • 0072593385

Structure Descriptors

InChI

1S/C29H31FN4/c30-23-12-10-22(11-13-23)29(21-6-2-1-3-7-21)31-14-15-33-16-17-34-20-28-26(18-24(34)19-33)25-8-4-5-9-27(25)32-28/h1-13,24,29,31-32H,14-20H2

InChIKey

NKQUNUDFTBHYSF-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(c2ccc(cc2)F)NCCN3CCN4Cc5c(c6ccccc6[nH]5)CC4C3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 22, Pg. 1224, 1983.
mouse LD50 intraperitoneal 800mg/kg (800mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 22, Pg. 1224, 1983.