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Substance Name: Thialbarbital sodium
RN: 3546-29-0
UNII: RHK739S84F
InChIKey: GDJWAYOMFZFOTG-UHFFFAOYSA-M

Molecular Formula

  • C13-H16-N2-O2-S.Na

Molecular Weight

  • 286.329
 
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Names and Synonyms

Results Name

  • Thialbarbital sodium

Name of Substance

  • Thialbarbital sodium

Synonyms

  • EINECS 222-595-8
  • Intranarcon
  • Intranarcone
  • Kemithal
  • Sodium 5-allyl-5-(delta(sup 2)-cyclohexenyl)-2-thiobarbiturate
  • Sodium allylcyclohexenylthiobarbiturate
  • Thialbarbital sodium
  • Thialbarbitone sodium
  • UNII-RHK739S84F

Systematic Names

  • 4,6(1H,5H)-Pyrimidinedione, 5-(2-cyclohexen-1-yl)dihydro-5-(2-propenyl)-2-thioxo-, monosodium salt
  • Barbituric acid, 5-allyl-5-(2-cyclohexen-1-yl)-2-thio-, sodium salt
  • Thialbarbital sodium

Registry Numbers

CAS Registry Number

  • 3546-29-0

FDA UNII

  • RHK739S84F

System Generated Number

  • 0003546290

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;/h2,4,6,9H,1,3,5,7-8H2,(H2,14,15,16,17,18);/q;+1/p-1

InChIKey

GDJWAYOMFZFOTG-UHFFFAOYSA-M

Smiles

C1([C@@]([C@@H]2CCCC=C2)(C(N=C(N1)[S-])=O)CC=C)=O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 300mg/kg (300mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Yakugaku Zasshi. Journal of Pharmacy. Vol. 75, Pg. 885, 1955.