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Substance Name: Pyridinium, 1-(2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)ethyl)-3-((3,4,5-trimethoxybenzoyl)amino)-, bromide
RN: 70919-93-6
InChIKey: HRFRIPIXJVDSAA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H27-N6-O6.Br

Molecular Weight

  • 575.4173
 
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Names and Synonyms

  • Pyridinium, 1-(2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)ethyl)-3-((3,4,5-trimethoxybenzoyl)amino)-, bromide

Registry Numbers

CAS Registry Number

  • 70919-93-6

System Generated Number

  • 0070919936

Molecular Formulas

Molecular Formula

  • C24-H27-N6-O6.Br

Molecular Formula Fragments

  • Br
  • C24-H27-N6-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C24H26N6O6.BrH/c1-27-21-19(23(32)28(2)24(27)33)30(14-25-21)10-9-29-8-6-7-16(13-29)26-22(31)15-11-17(34-3)20(36-5)18(12-15)35-4;/h6-8,11-14H,9-10H2,1-5H3;1H

InChIKey

HRFRIPIXJVDSAA-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC[n+]3cccc(c3)NC(=O)c4cc(c(c(c4)OC)OC)OC.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 300mg/kg (300mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 14, Pg. 188, 1979.
mouse LD oral > 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 14, Pg. 188, 1979.