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| Name |
5-Allyl-5-sec-butyl-2-thiobarbituric acid sodium salt |
EINECS | N/A |
| CAS No. | 64058-14-6 | Density | N/A |
| PSA | 100.10000 | LogP | 1.55020 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H16 N2 O2 S . Na | Boiling Point | N/A |
| Molecular Weight | 262.33 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx, SOx, and Na2O. See also BARBITURATES and ALLYL COMPOUNDS. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4,6(1H,5H)-Pyrimidinedione,dihydro-5-(1-methylpropyl)-5-(2-propenyl)-2-thioxo-, monosodium salt (9CI) |
5-Allyl-5-sec-butyl-2-thiobarbituric acid sodium salt Chemical Properties
Product Name: 5-Allyl-5-sec-butyl-2-thiobarbituric acid sodium salt (CAS NO.64058-14-6)
Molecular Formula: C11H15N2O2S•Na
Molecular Weight: 262.33g/mol
Mol File: 64058-14-6.mol
H-Bond Donor: 1
H-Bond Acceptor: 3
IUPAC Name: sodium 5-butan-2-yl-4,6-dioxo-5-prop-2-enyl-1H-pyrimidine-2-thiolate
Canonical SMILES: CCC(C)C1(C(=O)NC(=NC1=O)[S-])CC=C.[Na+]
InChI: InChI=1S/C11H16N2O2S.Na/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15;/h4,
7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16);/q;+1/p-1
InChIKey: ODAJVSVRPUSJQQ-UHFFFAOYSA-M
5-Allyl-5-sec-butyl-2-thiobarbituric acid sodium salt Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LDLo | intravenous | 60mg/kg (60mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC | Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937. |
| dog | LDLo | oral | 130mg/kg (130mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937. | |
| rabbit | LDLo | intravenous | 40mg/kg (40mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC | Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937. |
| rat | LDLo | intraperitoneal | 100mg/kg (100mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937. | |
| rat | LDLo | intravenous | 120mg/kg (120mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937. | |
| rat | LDLo | oral | 125mg/kg (125mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937. |
5-Allyl-5-sec-butyl-2-thiobarbituric acid sodium salt Safety Profile
Poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx, SOx, and Na2O. See also BARBITURATES and ALLYL COMPOUNDS.
5-Allyl-5-sec-butyl-2-thiobarbituric acid sodium salt Specification
5-Allyl-5-sec-butyl-2-thiobarbituric acid sodium salt ,its CAS NO. is 64058-14-6,the synonyms is Barbituric acid, 5-allyl-5-sec-butyl-2-thio-, sodium salt .
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