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337-47-3

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Basic Information
CAS No.: 337-47-3
Name: 5-allyl-5-(1-methylbutyl)-2-thiobarbituric acid, sodium derivative
Molecular Structure:
Molecular Structure of 337-47-3 (5-allyl-5-(1-methylbutyl)-2-thiobarbituric acid, sodium derivative)
Formula: C12H18 N2 O2 S . Na
Molecular Weight: 277.37
Synonyms: 4,6(1H,5H)-Pyrimidinedione,dihydro-5-(1-methylbutyl)-5-(2-propenyl)-2-thioxo-, monosodium salt (9CI);Barbituric acid, 5-allyl-5-(1-methylbutyl)-2-thio-, sodium deriv. (7CI);Barbituric acid, 5-allyl-5-(1-methylbutyl)-2-thio-, sodium salt (8CI);5-Allyl-5-(1-methylbutyl)-2-thiobarbiturate sodium; 5-Allyl-5-(1-methylbutyl)-2-thiobarbituricacid sodium salt; Sodium 5-allyl-5-(1-methylbutyl)-2-thiobarbiturate; Sodiumthiamylal; Surital; Surital sodium; Surital sodium salt; Thiamylal sodium
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. An experimental teratogen. When heated to decomposition it emits very toxic fumes of NOx, SOx, and Na2O.
PSA: 66.23000
LogP: 1.74520
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Chemistry

IUPAC  Name: Sodium 4,6-dioxo-5-pentan-2-yl-5-prop-2-enyl-1H-pyrimidine-2-thiolate    
Molecular Formula: C12H17N2O2S•Na
Molecular Weight: 277.37
EINECS: 206-415-5
Freely Rotating Bonds: 5
Polar Surface Area: 84.99 Å2 
The Cas Register Number of Surital sodium is 337-47-3.The chemical synonyms of  Surital sodium (CAS NO.337-47-3) are 4,6-(1H,5H)-Pyrimidinedione, dihydro-5-(1-methylbutyl)-5-(2-propenyl)-2-thioxo-, monosodium salt ; 5-Allyl-5-(1-methylbutyl)-2-thiobarbiturate sodium ; 5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid, sodium derivative and Barbituric acid, 5-allyl-5-(1-methylbutyl)-2-thio-, sodium salt  .The molecular structure of  Surital sodium (CAS NO.337-47-3) is.

Uses

 Surital sodium (CAS NO.337-47-3) is used as pharmaceutical intermediate.

Toxicity Data With Reference

1.    

scu-rat LD50:52 mg/kg

     29ZVAB    Handbook of Analytical Toxicology ,Sunshine, I., ed.,Cleveland, OH.: Chemical Rubber Co.,1969,115.
2.    

ivn-rat LD50:51 mg/kg

     29ZVAB    Handbook of Analytical Toxicology ,Sunshine, I., ed.,Cleveland, OH.: Chemical Rubber Co.,1969,115.
3.    

orl-mus LD50:180 mg/kg

     29ZVAB    Handbook of Analytical Toxicology ,Sunshine, I., ed.,Cleveland, OH.: Chemical Rubber Co.,1969,115.
4.    

ipr-mus LD50:109 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 26 (1973),495.
5.    

scu-mus LD50:112 mg/kg

     29ZVAB    Handbook of Analytical Toxicology ,Sunshine, I., ed.,Cleveland, OH.: Chemical Rubber Co.,1969,115.
6.    

ivn-mus LD50:85 mg/kg

     TXAPA9    Toxicology and Applied Pharmacology. 26 (1973),495.
7.    

orl-dog LD50:134 mg/kg

     29ZVAB    Handbook of Analytical Toxicology ,Sunshine, I., ed.,Cleveland, OH.: Chemical Rubber Co.,1969,115.
8.    

ivn-dog LD50:32 mg/kg

     29ZVAB    Handbook of Analytical Toxicology ,Sunshine, I., ed.,Cleveland, OH.: Chemical Rubber Co.,1969,115.
9.    

ivn-rbt LD50:24 mg/kg

     29ZVAB    Handbook of Analytical Toxicology ,Sunshine, I., ed.,Cleveland, OH.: Chemical Rubber Co.,1969,115.

Safety Profile

Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. An experimental teratogen. When heated to decomposition it emits very toxic fumes of NOx, SOx, and Na2O.
RIDADR: 3249
HazardClass: 6.1(b)
PackingGroup: III