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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-((phenyl-3-pyridinylmethyl)amino)ethyl)-, dihydrochloride, (+-)-
RN: 110622-76-9
InChIKey: HBJVDWBCFDXMKC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-N6-O2.2Cl-H

Molecular Weight

  • 463.3666
 
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Names and Synonyms

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-((phenyl-3-pyridinylmethyl)amino)ethyl)-, dihydrochloride, (+-)-

Registry Numbers

CAS Registry Number

  • 110622-76-9

System Generated Number

  • 0110622769

Molecular Formulas

Molecular Formula

  • C21-H22-N6-O2.2Cl-H

Molecular Formula Fragments

  • C21-H22-N6-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H22N6O2.2ClH/c1-25-19-18(20(28)26(2)21(25)29)27(14-24-19)12-11-23-17(15-7-4-3-5-8-15)16-9-6-10-22-13-16;;/h3-10,13-14,17,23H,11-12H2,1-2H3;2*1H

InChIKey

HBJVDWBCFDXMKC-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCNC(c3ccccc3)c4cccnc4.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 300mg/kg (300mg/kg)   Farmaco, Edizione Scientifica. Vol. 42, Pg. 561, 1987.