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Substance Name: Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride
RN: 115041-65-1
InChIKey: SBJJEFRIUNHJGH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N3-O-S.Cl-H

Molecular Weight

  • 432.029
 
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Names and Synonyms

  • Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 115041-65-1

System Generated Number

  • 0115041651

Molecular Formulas

Molecular Formula

  • C23-H29-N3-O-S.Cl-H

Molecular Formula Fragments

  • C23-H29-N3-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29N3OS.ClH/c1-18(27)24-21-7-9-23(10-8-21)28-14-4-11-25-12-13-26-16-20-6-3-2-5-19(20)15-22(26)17-25;/h2-3,5-10,22H,4,11-17H2,1H3,(H,24,27);1H

InChIKey

SBJJEFRIUNHJGH-UHFFFAOYSA-N

Smiles

CC(=O)Nc1ccc(cc1)SCCCN2CCN3Cc4ccccc4CC3C2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 68100ug/kg (68.1mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 26, Pg. 761, 1987.