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Substance Name: 7H-Purine-7-propanimidamide, 1,2,3,6-tetrahydro-N-(2-(3,4-dimethoxyphenyl)ethyl)-1,3-dimethyl-2,6-dioxo-, monohydrochloride
RN: 126480-57-7
InChIKey: JACFTJJUWLFTSV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H26-N6-O4.Cl-H

Molecular Weight

  • 450.9243
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 126480-57-7

System Generated Number

  • 0126480577

Molecular Formulas

Molecular Formula

  • C20-H26-N6-O4.Cl-H

Molecular Formula Fragments

  • C20-H26-N6-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H26N6O4.ClH/c1-24-18-17(19(27)25(2)20(24)28)26(12-23-18)10-8-16(21)22-9-7-13-5-6-14(29-3)15(11-13)30-4;/h5-6,11-12H,7-10H2,1-4H3,(H2,21,22);1H

InChIKey

JACFTJJUWLFTSV-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 98mg/kg (98mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 849, 1989.