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Substance Name: 7H-Purine-7-butanimidamide, (1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride
RN: 126480-59-9
InChIKey: FOXNQVIHHKGASM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H28-N6-O4.Cl-H

Molecular Weight

  • 464.9511
 
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Names and Synonyms

  • 7H-Purine-7-butanimidamide, (1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 126480-59-9

System Generated Number

  • 0126480599

Molecular Formulas

Molecular Formula

  • C21-H28-N6-O4.Cl-H

Molecular Formula Fragments

  • C21-H28-N6-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H28N6O4.ClH/c1-25-19-18(20(28)26(2)21(25)29)27(13-24-19)11-5-6-17(22)23-10-9-14-7-8-15(30-3)16(12-14)31-4;/h7-8,12-13H,5-6,9-11H2,1-4H3,(H2,22,23);1H

InChIKey

FOXNQVIHHKGASM-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCC/C(=N/CCc3ccc(c(c3)OC)OC)/N.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 849, 1989.