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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-(2-((4-fluorophenyl)phenylmethoxy)ethyl)-
RN: 72593-41-0
InChIKey: TXEPUINXOVREJM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H30-F-N3-O

Molecular Weight

  • 455.574
 
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Names and Synonyms

Synonym

  • BRN 4599380

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 72593-41-0

System Generated Number

  • 0072593410

Structure Descriptors

InChI

1S/C29H30FN3O/c30-23-12-10-22(11-13-23)29(21-6-2-1-3-7-21)34-17-16-32-14-15-33-20-28-26(18-24(33)19-32)25-8-4-5-9-27(25)31-28/h1-13,24,29,31H,14-20H2

InChIKey

TXEPUINXOVREJM-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(c2ccc(cc2)F)OCCN3CCN4Cc5c(c6ccccc6[nH]5)CC4C3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED
Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 22, Pg. 1224, 1983.