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Substance Name: Thiamylal [USP]
RN: 77-27-0
UNII: 01T23W89FR
InChIKey: XLOMZPUITCYLMJ-UHFFFAOYSA-N

Note

  • A barbiturate that is administered intravenously for the production of complete anesthesia of short duration, for the induction of general anesthesia, or for inducing a hypnotic state. (From Martindale, The Extra Pharmacopoeia, 30th ed, p919)

Molecular Formula

  • C12-H18-N2-O2-S

Molecular Weight

  • 254.3522
 

Classification Codes

Classification Codes

  • Anesthetic (Intravenous)
  • Anesthetics
  • Anesthetics, General
  • Anesthetics, Intravenous
  • Central Nervous System Agents
  • Central Nervous System Depressants
  • GABA Agents
  • GABA Modulators
  • Hypnotics and Sedatives
  • Neurotransmitter Agents

Superlist Classification Code

  • DEA Schedule III
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Names and Synonyms

Name of Substance

  • Thiamylal
  • Thiamylal [USP]

MeSH Heading

  • Thiamylal

Synonyms

  • 5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid
  • 5-Allyl-5-(1-methylbutyl)-2-thiobarbitursaeure
  • EINECS 201-018-3
  • NSC 120815
  • Thiamylal
  • Thioseconal
  • UNII-01T23W89FR

Systematic Names

  • 4,6(1H,5H)-Pyrimidinedione, dihydro-5-(1-methylbutyl)-5-(2-propenyl)-2-thioxo- (9CI)
  • 5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid
  • Barbituric acid, 5-allyl-5-(1-methylbutyl)-2-thio- (VAN) (8CI)
  • Dihydro-5-(1-methylbutyl)-5-(2-propenyl)-2-thioxo-4,6-(1H,5H)-pyrimidinedione

Superlist Names

  • DEA No. 2100
  • Surital
  • Thiamylal

Registry Numbers

CAS Registry Number

  • 77-27-0

FDA UNII

  • 01T23W89FR

Other Registry Numbers

  • 1340-07-4
  • 7187-63-5

System Generated Number

  • 0000077270

Structure Descriptors

InChI

1S/C12H18N2O2S/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)

InChIKey

XLOMZPUITCYLMJ-UHFFFAOYSA-N

Smiles

C1(C(NC(=S)NC1=O)=O)([C@@H](CCC)C)CC=C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 132-133 deg C   EXP
pKa Dissociation Constant 7.48 (none)   EXP
log P (octanol-water) 3.23 (none)   EXP
Water Solubility 49.4 mg/L 25 EXP
Vapor Pressure 9.99E-11 mm Hg 25 EST
Henry's Law Constant 6.28E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.31E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.