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Substance Name: 3-Pyridinecarboxylic acid, ((2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)imino)di-2,1-ethanediyl ester
RN: 135129-42-9
InChIKey: PFBOWXIONVOHQP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H25-N7-O6

Molecular Weight

  • 507.5045
 
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Names and Synonyms

  • 3-Pyridinecarboxylic acid, ((2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)imino)di-2,1-ethanediyl ester

Registry Numbers

CAS Registry Number

  • 135129-42-9

System Generated Number

  • 0135129429

Structure Descriptors

InChI

1S/C24H25N7O6/c1-28-18-19(29(2)24(35)30(3)20(18)32)27-23(28)31(10-12-36-21(33)16-6-4-8-25-14-16)11-13-37-22(34)17-7-5-9-26-15-17/h4-9,14-15H,10-13H2,1-3H3

InChIKey

PFBOWXIONVOHQP-UHFFFAOYSA-N

Smiles

Cn1c2c(nc1N(CCOC(=O)c3cccnc3)CCOC(=O)c4cccnc4)n(c(=O)n(c2=O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1830mg/kg (1830mg/kg)   Farmatsiya Vol. 40(4), Pg. 29, 1990.
mouse LD50 oral 500mg/kg (500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 853, 1991.