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Substance Name: Benzoic acid, 2,2'-((dihydro-5,5-diethyl-2,4,6-trioxo-1,3(2H,4H)-pyrimidinediyl)bis((1-oxo-2,1-ethanediyl)imino))bis-
RN: 70959-44-3
InChIKey: JPPSTJREFBUYLW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H26-N4-O9

Molecular Weight

  • 538.51
 
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Names and Synonyms

Synonyms

  • 5-24-09-00151 (Beilstein Handbook Reference)
  • BRN 0737095

Systematic Name

  • Benzoic acid, 2,2'-((dihydro-5,5-diethyl-2,4,6-trioxo-1,3(2H,4H)-pyrimidinediyl)bis((1-oxo-2,1-ethanediyl)imino))bis-

Registry Numbers

CAS Registry Number

  • 70959-44-3

System Generated Number

  • 0070959443

Structure Descriptors

InChI

1S/C26H26N4O9/c1-3-26(4-2)23(37)29(13-19(31)27-17-11-7-5-9-15(17)21(33)34)25(39)30(24(26)38)14-20(32)28-18-12-8-6-10-16(18)22(35)36/h5-12H,3-4,13-14H2,1-2H3,(H,27,31)(H,28,32)(H,33,34)(H,35,36)

InChIKey

JPPSTJREFBUYLW-UHFFFAOYSA-N

Smiles

C1(C(N(C(=O)N(C1=O)CC(Nc1c(cccc1)C(O)=O)=O)CC(Nc1c(cccc1)C(O)=O)=O)=O)(CC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 30, Pg. 685, 1978.