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Substance Name: Acetamide, N-(4-((3-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)propyl)thio)phenyl)-
RN: 115030-35-8
InChIKey: XBRAQLGQBUSVFX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H30-N4-O-S

Molecular Weight

  • 434.605
 
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Names and Synonyms

Synonym

  • BRN 5167322

Systematic Name

  • Acetamide, N-(4-((3-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)propyl)thio)phenyl)-

Registry Numbers

CAS Registry Number

  • 115030-35-8

System Generated Number

  • 0115030358

Structure Descriptors

InChI

1S/C25H30N4OS/c1-18(30)26-19-7-9-21(10-8-19)31-14-4-11-28-12-13-29-17-25-23(15-20(29)16-28)22-5-2-3-6-24(22)27-25/h2-3,5-10,20,27H,4,11-17H2,1H3,(H,26,30)

InChIKey

XBRAQLGQBUSVFX-UHFFFAOYSA-N

Smiles

CC(=O)Nc1ccc(cc1)SCCCN2CCN3Cc4c(c5ccccc5[nH]4)CC3C2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 26, Pg. 761, 1987.