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Substance Name: Barbituric acid, 5-sec-butyl-5-phenethyl-, sodium salt
RN: 67050-56-0
InChIKey: ATGDDUNMQRERJP-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H20-N2-O3.Na

Molecular Weight

  • 310.327
 
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Names and Synonyms

Synonym

  • 5-sec-Butyl-5-phenethylbarbituric acid sodium salt

Systematic Name

  • Barbituric acid, 5-sec-butyl-5-phenethyl-, sodium salt

Registry Numbers

CAS Registry Number

  • 67050-56-0

System Generated Number

  • 0067050560

Molecular Formulas

Molecular Formula

  • C16-H20-N2-O3.Na

Molecular Formula Fragments

  • C16-H20-N2-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H20N2O3.Na/c1-3-11(2)16(10-9-12-7-5-4-6-8-12)13(19)17-15(21)18-14(16)20;/h4-8,11H,3,9-10H2,1-2H3,(H2,17,18,19,20,21);/q;+1/p-1

InChIKey

ATGDDUNMQRERJP-UHFFFAOYSA-M

Smiles

C1([C@@](C(N=C(N1)[O-])=O)(CCc1ccccc1)[C@@H](CC)C)=O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 200mg/kg (200mg/kg)   Journal of the American Chemical Society. Vol. 63, Pg. 2991, 1941.