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Substance Name: 4H-Pyrazino(1,2-a)pyrimidin-4-one, 2-(2-(hexahydro-1H-azepin-1-yl)ethoxy)-3-phenyl-, monohydrobromide
RN: 21271-28-3
InChIKey: ASRMKTJNYYAWAQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N4-O2.Br-H

Molecular Weight

  • 445.358
 
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Names and Synonyms

Synonym

  • 2-(2-(Hexahydro-1H-azepin-1-yl)ethoxy)-3-phenyl-4H-pyrazino(1,2-a)pyrimidin-4-one HCl

Systematic Name

  • 4H-Pyrazino(1,2-a)pyrimidin-4-one, 2-(2-(hexahydro-1H-azepin-1-yl)ethoxy)-3-phenyl-, monohydrobromide

Registry Numbers

CAS Registry Number

  • 21271-28-3

System Generated Number

  • 0021271283

Molecular Formulas

Molecular Formula

  • C21-H24-N4-O2.Br-H

Molecular Formula Fragments

  • Br-H
  • C21-H24-N4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C21H24N4O2.BrH/c26-21-19(17-8-4-3-5-9-17)20(23-18-16-22-10-13-25(18)21)27-15-14-24-11-6-1-2-7-12-24;/h3-5,8-10,13,16H,1-2,6-7,11-12,14-15H2;1H

InChIKey

ASRMKTJNYYAWAQ-UHFFFAOYSA-N

Smiles

c12nc(c(c(n1ccnc2)=O)c1ccccc1)OCCN1CCCCCC1.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 147mg/kg (147mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1045, 1968.