Product Name

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  • Name

    SECOBARBITAL SODIUM SALT

  • EINECS 206-218-4
  • CAS No. 309-43-3
  • Density
  • Solubility H2O: soluble
  • Melting Point 100oC
  • Formula C12H17N2NaO3
  • Boiling Point
  • Molecular Weight 260.268
  • Flash Point
  • Transport Information
  • Appearance
  • Safety 22-36/37/39-45
  • Risk Codes 23/24/25-63
  • Molecular Structure Molecular Structure of 309-43-3 (SECOBARBITAL SODIUM SALT)
  • Hazard Symbols ToxicT
  • Synonyms 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-methylbutyl)-5-(2-propenyl)-, monosodium salt (9CI);Barbituric acid,5-allyl-5-(1-methylbutyl)-, sodium salt (8CI);(RS)-Secobarbital sodium;5-Allyl-5-(1-methylbutyl)barbituric acid sodium salt;5-Allyl-5-(1-methylbutyl)malonylurea sodium salt;Barbosec;Bipinal sodium;Evronal Sodium;Imesonal;Immenoctal;Ional sodium;Meballymal sodium;NSC10818;Pramil;Quinalbarbitone sodium;Quinalspan;Sebar;Secobarbital sodium;Secobarbitone sodium;Seconal sodium;Sedutain;Seotal;Seotalnatrium;Sodium5-allyl-5-(1-methylbutyl)barbiturate;Sodium Seconal;Sodium quinalbarbitone;Sodium secobarbital;Synate;SECOBARBITAL SODIUM SALT;
  • PSA 81.59000
  • LogP 1.19240

Seconal sodium Specification

The Seconal sodium is an organic compound with the formula C12H17N2NaO3. The IUPAC name of this chemical is sodium 5-pentan-2-yl-5-prop-2-enylpyrimidin-3-ide-2,4,6-trione. With the CAS registry number 309-43-3, it is also named as 4,6(1H,5H)-pyrimidinedione, 2-hydroxy-5-(1-methylbutyl)-5-(2-propen-1-yl)-, sodium salt (1:1). The product's classification codes are Drug / Therapeutic Agent; Sedative-hypnotic.

Physical properties about Seconal sodium are:
 (1)ACD/LogP: 2.01; (2)ACD/LogD (pH 5.5): 0.29; (3)ACD/LogD (pH 7.4): -1.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.65; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 69.97 Å2.

When you are using Seconal sodium, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed. Besides, this chemical is irritating to eyes, respiratory system and skin and do not breathe dust. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=C1/N=C(/[O-])NC(=O)C1(C(CCC)C)C\C=C
(2)InChI: InChI=1/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
(3)InChIKey: AXXJTNXVUHVOJW-REWHXWOFAD
(4)Std. 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
(5)Std. InChIKey: AXXJTNXVUHVOJW-UHFFFAOYSA-M

The toxicity data of Seconal sodium is as follows:

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: GENERAL ANESTHETIC

BEHAVIORAL: EXCITEMENT

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

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

BEHAVIORAL: TREMOR		 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: GENERAL ANESTHETIC

BEHAVIORAL: EXCITEMENT		 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: GENERAL ANESTHETIC

BEHAVIORAL: TREMOR		 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.

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