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Substance Name: 3-Pyridinecarboxamide, 6-chloro-N-(3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl)-
RN: 70454-36-3
InChIKey: XFKIJFYTVRAKEZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-Cl-N6-O3

Molecular Weight

  • 376.8023
 
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Names and Synonyms

Synonyms

  • 5-26-14-00028 (Beilstein Handbook Reference)
  • BRN 1180075

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 70454-36-3

System Generated Number

  • 0070454363

Structure Descriptors

InChI

1S/C16H17ClN6O3/c1-21-13-12(15(25)22(2)16(21)26)23(9-20-13)7-3-6-18-14(24)10-4-5-11(17)19-8-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,24)

InChIKey

XFKIJFYTVRAKEZ-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCCNC(=O)c3ccc(nc3)Cl

Toxicity

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