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Substance Name: Benzoic acid, 4,4'-(dihydro-5-((4-hydroxyphenyl)methylene)-2,4,6-trioxo-1,3(2H,4H)-pyrimidinediyl)bis(2-nitro-, dipotassium salt
RN: 78472-86-3
InChIKey: BWKVALOFAQHZQZ-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H12-N4-O12.2K

Molecular Weight

  • 638.582
 
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Names and Synonyms

  • Benzoic acid, 4,4'-(dihydro-5-((4-hydroxyphenyl)methylene)-2,4,6-trioxo-1,3(2H,4H)-pyrimidinediyl)bis(2-nitro-, dipotassium salt

Registry Numbers

CAS Registry Number

  • 78472-86-3

Other Registry Number

  • 100482-32-4

System Generated Number

  • 0078472863

Molecular Formulas

Molecular Formula

  • C25-H12-N4-O12.2K

Molecular Formula Fragments

  • C25-H12-N4-O12
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C25H14N4O12.2K/c30-15-5-1-12(2-6-15)9-18-21(31)26(13-3-7-16(23(33)34)19(10-13)28(38)39)25(37)27(22(18)32)14-4-8-17(24(35)36)20(11-14)29(40)41;;/h1-11,30H,(H,33,34)(H,35,36);;/q;2*+1/p-2

InChIKey

BWKVALOFAQHZQZ-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\c1ccc(O)cc1)=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

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