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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-(((3-chlorophenyl)phenylmethyl)amino)ethyl)-1,3-dimethyl-
RN: 72754-68-8
InChIKey: QQBPMNIYGSXMML-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H22-Cl-N5-O2

Molecular Weight

  • 423.9018
 
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Names and Synonyms

Synonyms

  • 5-26-14-00006 (Beilstein Handbook Reference)
  • BRN 1186028

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-(((3-chlorophenyl)phenylmethyl)amino)ethyl)-1,3-dimethyl-

Registry Numbers

CAS Registry Number

  • 72754-68-8

System Generated Number

  • 0072754688

Structure Descriptors

InChI

1S/C22H22ClN5O2/c1-26-20-19(21(29)27(2)22(26)30)28(14-25-20)12-11-24-18(15-7-4-3-5-8-15)16-9-6-10-17(23)13-16/h3-10,13-14,18,24H,11-12H2,1-2H3

InChIKey

QQBPMNIYGSXMML-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2ncn(CCNC(c3ccccc3)c4cccc(Cl)c4)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 400mg/kg (400mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 14, Pg. 383, 1979.