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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(3-(4-(3-(phenylthio)propyl)-1-piperazinyl)propyl)-, dihydrochloride
RN: 79712-52-0
InChIKey: SNSXPTBROGHZNQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H32-N6-O2-S.2Cl-H

Molecular Weight

  • 529.5336
 
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Names and Synonyms

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(3-(4-(3-(phenylthio)propyl)-1-piperazinyl)propyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 79712-52-0

System Generated Number

  • 0079712520

Molecular Formulas

Molecular Formula

  • C23-H32-N6-O2-S.2Cl-H

Molecular Formula Fragments

  • C23-H32-N6-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H32N6O2S.2ClH/c1-25-21-20(22(30)26(2)23(25)31)29(18-24-21)12-6-10-27-13-15-28(16-14-27)11-7-17-32-19-8-4-3-5-9-19;;/h3-5,8-9,18H,6-7,10-17H2,1-2H3;2*1H

InChIKey

SNSXPTBROGHZNQ-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCCN3CCN(CC3)CCCSc4ccccc4.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1600mg/kg (1600mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 647, 1985.