Skip Navigation
ChemIDplus LiteBrowseAdvanced

Substance Name: Secobarbital sodium [USP:INN:BAN:JAN]
RN: 309-43-3
UNII: XBP604F6UM
InChIKey: AXXJTNXVUHVOJW-UHFFFAOYSA-M

Note

  • A barbiturate that is used as a sedative. Secobarbital is reported to have no anti-anxiety activity.

Molecular Formula

  • C12-H18-N2-O3.Na

Molecular Weight

  • 260.2673
 

Classification Codes

Classification Codes

  • Drug / Therapeutic Agent
  • Sedative-Hypnotic

Superlist Classification Code

  • DEA Schedule II
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Secobarbital sodium [USP:INN:BAN:JAN]

Synonyms

  • 5-(1-Methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione monosodium salt
  • 5-Allyl-5-(1-methylbutyl)barbituric acid sodium salt
  • 5-Allyl-5-(1-methylbutyl)malonylurea sodium salt
  • Barbosec
  • Bipanal
  • Bipinal sodium
  • Dormatylan
  • Dormona
  • EINECS 206-218-4
  • Evronal sodium
  • Evrronal
  • Hypotrol
  • Imesonal
  • Immenoctal
  • Immenox
  • Meballymal sodium
  • NSC 10818
  • Pramil
  • Propylmethylcarbinylallyl barbituric acid sodium salt
  • Quinalbarbitone sodium
  • Quinalspan
  • Sebar
  • Seco 8
  • Secobarbital sodium
  • Secobarbitone sodium
  • Seconal sodium
  • Sedutain
  • Seotal
  • Sodium 5-allyl-5-(1-methylbutyl)barbiturate
  • Sodium quinalbarbitone
  • Sodium secobarbital
  • Sodium seconal
  • Synate
  • Trisomnin
  • UNII-XBP604F6UM

Systematic Names

  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-, monosodium salt
  • Barbituric acid, 5-allyl-5-(1-methylbutyl)-, sodium salt
  • Secobarbital sodium

Superlist Names

  • DEA No. 2315
  • Secobarbital sodium
  • Tuinal

Mixture Name

  • Tuinal

Registry Numbers

CAS Registry Number

  • 309-43-3

FDA UNII

  • XBP604F6UM

System Generated Number

  • 0000309433

Molecular Formulas

Molecular Formula

  • C12-H18-N2-O3.Na

Molecular Formula Fragments

  • C12-H18-N2-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

InChI=1S/C12H18N2O3.Na/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);/q;+1/p-1

InChIKey

AXXJTNXVUHVOJW-UHFFFAOYSA-M

Smiles

[Na+].CCCC(C)C1(CC=C)C(=O)NC(=O)[N-]C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 56mg/kg (56mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
cat LD50 oral 50mg/kg (50mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: GENERAL ANESTHETIC
Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 260, 1946.
dog LD50 intravenous 48mg/kg (48mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: GENERAL ANESTHETIC
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 44, Pg. 152, 1955.
dog LD50 oral 85mg/kg (85mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: GENERAL ANESTHETIC
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 44, Pg. 152, 1955.
duck LD50 oral 75mg/kg (75mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
mouse LD50 intraperitoneal 123mg/kg (123mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: GENERAL ANESTHETIC
Toxicology and Applied Pharmacology. Vol. 26, Pg. 495, 1973.
mouse LD50 intravenous 110mg/kg (110mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: EXCITEMENT
Toxicology and Applied Pharmacology. Vol. 26, Pg. 495, 1973.
pigeon LD50 oral 133mg/kg (133mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
rabbit LD50 intravenous 38mg/kg (38mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: GENERAL ANESTHETIC
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 44, Pg. 152, 1955.
rabbit LDLo intraperitoneal 50mg/kg (50mg/kg)   Drugs in Japan Vol. 6, Pg. 401, 1982.
rabbit LDLo oral 450mg/kg (450mg/kg)   Drugs in Japan Vol. 6, Pg. 401, 1982.
rabbit LDLo subcutaneous 90mg/kg (90mg/kg)   Drugs in Japan Vol. 6, Pg. 401, 1982.
rat LD50 intravenous 65mg/kg (65mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: TREMOR
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 44, Pg. 152, 1955.
rat LD50 oral 125mg/kg (125mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
rat LDLo intraperitoneal 110mg/kg (110mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 32, Pg. 1563, 1935.
rat LDLo subcutaneous 120mg/kg (120mg/kg) BEHAVIORAL: SLEEP Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 323, 1937.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.260 (none)   EST
Atmospheric OH Rate Constant 4.76E-11 cm3/molecule-sec 25 EST

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