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Substance Name: 1,3-Pyrimidinedipropionic acid, hexahydro-5-(p-hydroxybenzylidene)-2,4,6-trioxo-, dipotassium salt
RN: 78472-85-2
InChIKey: GXVXANKSUXZENU-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H14-N2-O8.2K

Molecular Weight

  • 452.4996
 
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Names and Synonyms

Synonym

  • Barbituric acid, 1,3-bis(2-carboxyethyl)-5-(p-hydroxybenzylidene)-, dipotassium salt

Systematic Name

  • 1,3-Pyrimidinedipropionic acid, hexahydro-5-(p-hydroxybenzylidene)-2,4,6-trioxo-, dipotassium salt

Registry Numbers

CAS Registry Number

  • 78472-85-2

System Generated Number

  • 0078472852

Molecular Formulas

Molecular Formula

  • C17-H14-N2-O8.2K

Molecular Formula Fragments

  • C17-H14-N2-O8
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C17H16N2O8.2K/c20-11-3-1-10(2-4-11)9-12-15(25)18(7-5-13(21)22)17(27)19(16(12)26)8-6-14(23)24;;/h1-4,9,20H,5-8H2,(H,21,22)(H,23,24);;/q;2*+1/p-2

InChIKey

GXVXANKSUXZENU-UHFFFAOYSA-L

Smiles

c1cc(ccc1C=C2C(=O)N(C(=O)N(C2=O)CCC(=O)[O-])CCC(=O)[O-])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.