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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(3-(((4-methoxyphenyl)phenylmethyl)amino)propyl)-, monohydrochloride
RN: 72754-70-2
InChIKey: VKGGWFKAOXTTSM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H27-N5-O3.Cl-H

Molecular Weight

  • 469.9702
 
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Names and Synonyms

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(3-(((4-methoxyphenyl)phenylmethyl)amino)propyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 72754-70-2

System Generated Number

  • 0072754702

Molecular Formulas

Molecular Formula

  • C24-H27-N5-O3.Cl-H

Molecular Formula Fragments

  • C24-H27-N5-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H27N5O3.ClH/c1-27-22-21(23(30)28(2)24(27)31)29(16-26-22)15-7-14-25-20(17-8-5-4-6-9-17)18-10-12-19(32-3)13-11-18;/h4-6,8-13,16,20,25H,7,14-15H2,1-3H3;1H

InChIKey

VKGGWFKAOXTTSM-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCCNC(c3ccccc3)c4ccc(cc4)OC.Cl

Toxicity

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