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Substance Name: Heptabarbital [INN]
RN: 509-86-4
UNII: V10R70ML23
InChIKey: PAZQYDJGLKSCSI-UHFFFAOYSA-N

Note

  • Intermediate or short term barbiturate used mainly for sedation and hypnosis.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-N2-O3

Molecular Weight

  • 250.2962
 
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Names and Synonyms

Results Name

  • Heptabarbital [INN]

Name of Substance

  • Heptabarb [INN]
  • Heptabarbital
  • Heptabarbital [INN]

Synonyms

  • 5-(1-Cyclohepten-1-yl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-(1-Cyclohepten-1-yl)-5-ethylbarbituric acid
  • 5-(1-Cycloheptenyl)-5-ethylbarbitursaeure
  • 5-Ethyl-5-(1'-cycloheptenyl)-barbituric acid
  • 5-Ethyl-5-cycloheptenylbarbituric acid
  • Cycloheptenylethylbarbituric acid
  • Cycloheptenylethylmalonylurea
  • EINECS 208-107-6
  • Eudan
  • G 475
  • Heptabarb
  • Heptabarbe
  • Heptabarbe [INN-French]
  • Heptabarbital
  • Heptabarbitone
  • Heptabarbo
  • Heptabarbo [INN-Spanish]
  • Heptabarbum
  • Heptabarbum [INN-Latin]
  • Heptadorm
  • Heptamal
  • Heptamalum
  • Heptbarbital
  • Medapan
  • Medomin
  • Medomine
  • Noctyn
  • UNII-V10R70ML23

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohepten-1-yl)-5-ethyl- (9CI)
  • 5-(1-Cyclohepten-1-yl)-5-ethylbarbituric acid
  • Barbituric acid, 5-(1-cyclohepten-1-yl)-5-ethyl-
  • Heptabarb

Registry Numbers

CAS Registry Number

  • 509-86-4

FDA UNII

  • V10R70ML23

Related Registry Number

  • 17626-60-7 (mono-hydrochloride salt)

System Generated Number

  • 0000509864

Structure Descriptors

InChI

1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)

InChIKey

PAZQYDJGLKSCSI-UHFFFAOYSA-N

Smiles

CCC1(C(=O)NC(=O)NC1=O)C2=CCCCCC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 105mg/kg (105mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 101, 1948.
mouse LD50 intramuscular > 2gm/kg (2000mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 13, Pg. 97, 1977.
mouse LD50 intraperitoneal 210mg/kg (210mg/kg) BEHAVIORAL: SLEEP Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 360, 1959.
mouse LD50 intravenous 180mg/kg (180mg/kg)   Compilation of LD50 Values of New Drugs.
mouse LD50 oral > 800mg/kg (800mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 1727, 1971.
rabbit LD50 intravenous 119mg/kg (119mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 101, 1948.
rat LD50 intraperitoneal 220mg/kg (220mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 101, 1948.
rat LD50 oral > 5gm/kg (5000mg/kg)   Compilation of LD50 Values of New Drugs.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 174 deg C   EXP
log P (octanol-water) 2.03 (none)   EXP
Water Solubility 250 mg/L 25 EXP
Vapor Pressure 1.17E-12 mm Hg 25 EST
Henry's Law Constant 6.81E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.92E-11 cm3/molecule-sec 25 EST

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