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Substance Name: Benzoic acid, 4,4'-(5-benzylidene-2,4,6-trioxohexahydropyrimidin-1,3-diyl)bis(2-nitro-, dipotassium salt
RN: 78506-80-6
InChIKey: YZSMLVDTTQOPKP-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H12-N4-O11.2K

Molecular Weight

  • 622.583
 
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Names and Synonyms

Synonym

  • Barbituric acid, 1,3-bis(4-carboxy-3-nitrophenyl)-5-benzylidene-, dipotassium salt

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78506-80-6

System Generated Number

  • 0078506806

Molecular Formulas

Molecular Formula

  • C25-H12-N4-O11.2K

Molecular Formula Fragments

  • C25-H12-N4-O11
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C25H14N4O11.2K/c30-21-18(10-13-4-2-1-3-5-13)22(31)27(15-7-9-17(24(34)35)20(12-15)29(39)40)25(36)26(21)14-6-8-16(23(32)33)19(11-14)28(37)38;;/h1-12H,(H,32,33)(H,34,35);;/q;2*+1/p-2

InChIKey

YZSMLVDTTQOPKP-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\c1ccccc1)=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 DEPRESSION

BEHAVIORAL: EXCITEMENT
Polish Journal of Pharmacology and Pharmacy. Vol. 33, Pg. 115, 1981.