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Substance Name: 1-Pyrimidineacetic acid, hexahydro-5-allyl-5-butyl-2,4,6-trioxo-, ethyl ester, sodium salt
RN: 67489-33-2
InChIKey: MCJORZNQNGYVAQ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H21-N2-O5.Na

Molecular Weight

  • 332.3299
 
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Names and Synonyms

Synonym

  • Hexahydro-5-allyl-5-butyl-2,4,6-trioxo-1-pyrimidineacetic acid ethyl ester sodium salt

Systematic Name

  • 1-Pyrimidineacetic acid, hexahydro-5-allyl-5-butyl-2,4,6-trioxo-, ethyl ester, sodium salt

Registry Numbers

CAS Registry Number

  • 67489-33-2

System Generated Number

  • 0067489332

Molecular Formulas

Molecular Formula

  • C15-H21-N2-O5.Na

Molecular Formula Fragments

  • C15-H21-N2-O5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C15H22N2O5.Na/c1-4-7-9-15(8-5-2)12(19)16-14(21)17(13(15)20)10-11(18)22-6-3;/h5H,2,4,6-10H2,1,3H3,(H,16,19,21);/q;+1/p-1

InChIKey

MCJORZNQNGYVAQ-UHFFFAOYSA-M

Smiles

CCCCC1(C(=O)[N-]C(=O)N(C1=O)CC(=O)OCC)CC=C.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 838mg/kg (838mg/kg)   Acta Physiologica Scandinavica. Vol. 18, Pg. 204, 1949.