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Substance Name: Thiohexital
RN: 7651-40-3
UNII: Y306914B95
InChIKey: ZGYJMOZAMSVQBT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-N2-O2-S

Molecular Weight

  • 264.3474
 
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Names and Synonyms

Name of Substance

  • Thiohexital

Synonyms

  • (+-)-5-Allyl-5-(1-methyl-2-pentynyl)-2-thiobarbituric acid
  • 4,6(1H,5H)-Pyrimidinedione, dihydro-5-(1-methyl-2-pentynyl)-5-(2-propenyl)-2-thioxo-, (+-)-
  • Lilly 22113
  • Thiohexital
  • UNII-Y306914B95

Systematic Name

  • Barbituric acid, 5-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (+-)-

Registry Numbers

CAS Registry Number

  • 7651-40-3

FDA UNII

  • Y306914B95

System Generated Number

  • 0007651403

Structure Descriptors

InChI

1S/C13H16N2O2S/c1-4-6-7-9(3)13(8-5-2)10(16)14-12(18)15-11(13)17/h5,9H,2,4,8H2,1,3H3,(H2,14,15,16,17,18)

InChIKey

ZGYJMOZAMSVQBT-UHFFFAOYSA-N

Smiles

CCC#CC(C)C1(C(=O)NC(=S)NC1=O)CC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 64mg/kg (64mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: EXCITEMENT
Journal of Medicinal Chemistry. Vol. 24, Pg. 1241, 1981.
mouse LD50 intravenous 54mg/kg (54mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Journal of Medicinal Chemistry. Vol. 24, Pg. 1241, 1981.
rat LD50 intravenous 32mg/kg (32mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Journal of Medicinal Chemistry. Vol. 24, Pg. 1241, 1981.