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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-(((4-chlorophenyl)-4-pyridinylmethyl)amino)propyl)-1,3-dimethyl-, dihydrochloride, (+-)-
RN: 110622-79-2
InChIKey: LMUCCOOVNNQEBC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H23-Cl-N6-O2.2Cl-H

Molecular Weight

  • 511.8385
 
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Names and Synonyms

  • 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-(((4-chlorophenyl)-4-pyridinylmethyl)amino)propyl)-1,3-dimethyl-, dihydrochloride, (+-)-

Registry Numbers

CAS Registry Number

  • 110622-79-2

System Generated Number

  • 0110622792

Molecular Formulas

Molecular Formula

  • C22-H23-Cl-N6-O2.2Cl-H

Molecular Formula Fragments

  • C22-H23-Cl-N6-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H23ClN6O2.2ClH/c1-27-20-19(21(30)28(2)22(27)31)29(14-26-20)13-3-10-25-18(16-8-11-24-12-9-16)15-4-6-17(23)7-5-15;;/h4-9,11-12,14,18,25H,3,10,13H2,1-2H3;2*1H

InChIKey

LMUCCOOVNNQEBC-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCCNC(c3ccc(cc3)Cl)c4ccncc4.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 200mg/kg (200mg/kg)   Farmaco, Edizione Scientifica. Vol. 42, Pg. 561, 1987.
mouse LD50 oral > 700mg/kg (700mg/kg)   Farmaco, Edizione Scientifica. Vol. 42, Pg. 561, 1987.