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Substance Name: Barbituric acid, 5-allyl-5-(1-cyclohexen-1-yl)-2-thio-, sodium salt
RN: 6606-18-4
InChIKey: LEMMQYLLEIUSII-UHFFFAOYSA-M

Molecular Formula

  • C13-H16-N2-O2-S.Na

Molecular Weight

  • 286.329
 
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Names and Synonyms

Synonym

  • Sodium 5-allyl-5-(delta(sup 1)-cyclohexenyl)-2-thiobarbiturate

Systematic Name

  • Barbituric acid, 5-allyl-5-(1-cyclohexen-1-yl)-2-thio-, sodium salt

Registry Numbers

CAS Registry Number

  • 6606-18-4

System Generated Number

  • 0006606184

Molecular Formulas

Molecular Formula

  • C13-H16-N2-O2-S.Na

Molecular Formula Fragments

  • C13-H16-N2-O2-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C13H16N2O2S.Na/c1-2-8-13(9-6-4-3-5-7-9)10(16)14-12(18)15-11(13)17;/h2,6H,1,3-5,7-8H2,(H2,14,15,16,17,18);/q;+1/p-1

InChIKey

LEMMQYLLEIUSII-UHFFFAOYSA-M

Smiles

C=1([C@@]2(C(NC([S-])=NC2=O)=O)CC=C)CCCCC1.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 200mg/kg (200mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Yakugaku Zasshi. Journal of Pharmacy. Vol. 75, Pg. 885, 1955.