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Substance Name: Purin-6(3H)-one, 8-chloro-1,3-dimethyl-2-(diphenyl(1-methyl-4-piperidyl)methoxy)-
RN: 73986-43-3
InChIKey: DYEDMUXMCJBVAN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H30-Cl-N5-O2

Molecular Weight

  • 480.009
 
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Names and Synonyms

Synonyms

  • 8-Chloro-1,3-dimethyl-2-(diphenyl(1-methyl-4-piperidyl)methoxy)purin-6(3H)-one
  • N-Methyl-piperidyl-4-benzhydryl-aether-8-chlor-theophyllinat
  • N-Methyl-piperidyl-4-benzhydryl-aether-8-chlor-theophyllinat [German]

Systematic Name

  • Purin-6(3H)-one, 8-chloro-1,3-dimethyl-2-(diphenyl(1-methyl-4-piperidyl)methoxy)-

Registry Numbers

CAS Registry Number

  • 73986-43-3

System Generated Number

  • 0073986433

Structure Descriptors

InChI

1S/C26H30ClN5O2/c1-30-16-14-20(15-17-30)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)34-25-31(2)22-21(23(33)32(25)3)28-24(27)29-22/h4-13,20,25H,14-17H2,1-3H3,(H,28,29)

InChIKey

DYEDMUXMCJBVAN-UHFFFAOYSA-N

Smiles

CN1CCC(CC1)C(c2ccccc2)(c3ccccc3)OC4N(c5c([nH]c(n5)Cl)C(=O)N4C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 86mg/kg (86mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 237, 1957.
mouse LD50 oral 200mg/kg (200mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 237, 1957.