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Substance Name: 3-Pyridinecarboxamide, N-(4-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)butyl)-
RN: 70454-28-3
InChIKey: PQFORKCZVGBPFW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-N6-O3

Molecular Weight

  • 356.384
 
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Names and Synonyms

Synonym

  • N-(4-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)butyl)-3-pyridinecarboxamide

Systematic Name

  • 3-Pyridinecarboxamide, N-(4-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)butyl)-

Registry Numbers

CAS Registry Number

  • 70454-28-3

System Generated Number

  • 0070454283

Structure Descriptors

InChI

1S/C17H20N6O3/c1-21-14-13(16(25)22(2)17(21)26)23(11-20-14)9-4-3-8-19-15(24)12-6-5-7-18-10-12/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,19,24)

InChIKey

PQFORKCZVGBPFW-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCCCNC(=O)c3cccnc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 600mg/kg (600mg/kg)   Farmaco, Edizione Scientifica. Vol. 34, Pg. 284, 1979.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Farmaco, Edizione Scientifica. Vol. 34, Pg. 284, 1979.