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Substance Name: 3-Pyridinecarboxamide, N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)-
RN: 70454-29-4
InChIKey: NRLRGFVPLPYYJQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-N6-O3

Molecular Weight

  • 342.3572
 
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Names and Synonyms

Synonyms

  • 5-26-14-00014 (Beilstein Handbook Reference)
  • BRN 1178541

Systematic Name

  • 3-Pyridinecarboxamide, N-methyl-N-(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)-

Registry Numbers

CAS Registry Number

  • 70454-29-4

System Generated Number

  • 0070454294

Structure Descriptors

InChI

1S/C16H18N6O3/c1-19(14(23)11-5-4-6-17-9-11)7-8-22-10-18-13-12(22)15(24)21(3)16(25)20(13)2/h4-6,9-10H,7-8H2,1-3H3

InChIKey

NRLRGFVPLPYYJQ-UHFFFAOYSA-N

Smiles

CN(CCn1cnc2N(C)C(=O)N(C)C(=O)c12)C(=O)c3cccnc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 400mg/kg (400mg/kg)   Farmaco, Edizione Scientifica. Vol. 34, Pg. 284, 1979.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Farmaco, Edizione Scientifica. Vol. 34, Pg. 284, 1979.