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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-8-(methyl(5-(1-piperidinylmethyl)-2-furanyl)amino)-7-(phenylmethyl)-, monohydrobromide
RN: 105522-66-5
InChIKey: WNTHTQXGPVRCBO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H28-N6-O3.Br-H

Molecular Weight

  • 529.4361
 
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Names and Synonyms

Synonym

  • 7-Benzyl-8-(methyl(5-(piperidinomethyl)-2-furyl)amino)-3-methylxanthine monohydrobromide

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-8-(methyl(5-(1-piperidinylmethyl)-2-furanyl)amino)-7-(phenylmethyl)-, monohydrobromide

Registry Numbers

CAS Registry Number

  • 105522-66-5

System Generated Number

  • 0105522665

Molecular Formulas

Molecular Formula

  • C24-H28-N6-O3.Br-H

Molecular Formula Fragments

  • Br-H
  • C24-H28-N6-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C24H28N6O3.BrH/c1-27(19-12-11-18(33-19)16-29-13-7-4-8-14-29)23-25-21-20(22(31)26-24(32)28(21)2)30(23)15-17-9-5-3-6-10-17;/h3,5-6,9-12H,4,7-8,13-16H2,1-2H3,(H,26,31,32);1H

InChIKey

WNTHTQXGPVRCBO-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)[nH]c1=O)n(c(n2)N(C)c3ccc(o3)CN4CCCCC4)Cc5ccccc5.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 298mg/kg (298mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 37, 1986.