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Substance Name: Benzoic acid, 4,4'-(5-(3,4-dimethoxybenzylidene)-2,4,6-trioxohexahydropyrimidin-1,3-diyl)bis(2-nitro-, dipotassium salt
RN: 78472-95-4
InChIKey: IISCFYNLVBFYID-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H16-N4-O13.2K

Molecular Weight

  • 682.634
 
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Names and Synonyms

  • Benzoic acid, 4,4'-(5-(3,4-dimethoxybenzylidene)-2,4,6-trioxohexahydropyrimidin-1,3-diyl)bis(2-nitro-, dipotassium salt

Registry Numbers

CAS Registry Number

  • 78472-95-4

System Generated Number

  • 0078472954

Molecular Formulas

Molecular Formula

  • C27-H16-N4-O13.2K

Molecular Formula Fragments

  • C27-H16-N4-O13
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C27H18N4O13.2K/c1-43-21-8-3-13(10-22(21)44-2)9-18-23(32)28(14-4-6-16(25(34)35)19(11-14)30(39)40)27(38)29(24(18)33)15-5-7-17(26(36)37)20(12-15)31(41)42;;/h3-12H,1-2H3,(H,34,35)(H,36,37);;/q;2*+1/p-2

InChIKey

IISCFYNLVBFYID-UHFFFAOYSA-L

Smiles

N1(c2cc(c(C(=O)[O-])cc2)[N+](=O)[O-])C(N(c2cc(c(C(=O)[O-])cc2)[N+](=O)[O-])C(=O)C(\C1=O)=C\c1cc(c(OC)cc1)OC)=O.[K+].[K+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 316mg/kg (316mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Polish Journal of Pharmacology and Pharmacy. Vol. 33, Pg. 115, 1981.