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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-(3,4,5-trimethoxybenzoyl)-1-piperazinyl)ethyl)-
RN: 70919-91-4
InChIKey: JZCMOCLJBUKZPC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-N6-O6

Molecular Weight

  • 486.526
 
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Names and Synonyms

Synonyms

  • 5-26-14-00015 (Beilstein Handbook Reference)
  • BRN 0598039

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-(3,4,5-trimethoxybenzoyl)-1-piperazinyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 70919-91-4

System Generated Number

  • 0070919914

Structure Descriptors

InChI

1S/C23H30N6O6/c1-25-20-18(22(31)26(2)23(25)32)29(14-24-20)11-8-27-6-9-28(10-7-27)21(30)15-12-16(33-3)19(35-5)17(13-15)34-4/h12-14H,6-11H2,1-5H3

InChIKey

JZCMOCLJBUKZPC-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCN3CCN(CC3)C(=O)c4cc(c(c(c4)OC)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 300mg/kg (300mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 14, Pg. 188, 1979.
mouse LD oral > 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 14, Pg. 188, 1979.