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| Name |
5-Ethyl-5-(3-methyl-2-butenyl)barbituric acid sodium salt |
EINECS | N/A |
| CAS No. | 21149-87-1 | Density | 1.096g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H15N2O3•Na | Boiling Point | N/A |
| Molecular Weight | 246.27 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic fumes of NOx and Na2O. See also BARBITURATES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | 3 |
| Synonyms |
N/A |
5-Ethyl-5-(3-methyl-2-butenyl)barbituric acid sodium salt Chemical Properties
Molecule structure of 5-Ethyl-5-(3-methyl-2-butenyl)barbituric acid sodium salt (CAS NO.21149-87-1):
IUPAC Name: Sodium 5-ethyl-5-(3-methylbut-2-enyl)pyrimidin-3-ide-2,4,6-trione
Molecular Weight: 246.23817 g/mol
Molecular Formula: C11H15N2NaO3
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 3
Tautomer Count: 3
Exact Mass: 246.098037
MonoIsotopic Mass: 246.098037
Topological Polar Surface Area: 64.2
Heavy Atom Count: 17
Complexity: 375
Canonical SMILES: CCC1(C(=O)NC(=O)[N-]C1=O)CC=C(C)C.[Na+]
InChI: InChI=1S/C11H16N2O3.Na/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15;/h5H,4,6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1
InChIKey: OHDSURTUZCAPSD-UHFFFAOYSA-M
Classification Code of 5-Ethyl-5-(3-methyl-2-butenyl)barbituric acid sodium salt (CAS NO.21149-87-1): Drug / Therapeutic Agent
5-Ethyl-5-(3-methyl-2-butenyl)barbituric acid sodium salt Toxicity Data With Reference
| 1. | ipr-cat LDLo:6 mg/kg | NATUAS Nature. 163 (1949),447. | ||
| 2. | ivn-cat LDLo:6 mg/kg | NATUAS Nature. 163 (1949),447. | ||
| 3. | ipr-rbt LDLo:6 mg/kg | NATUAS Nature. 163 (1949),447. | ||
| 4. | ivn-rbt LDLo:6 mg/kg | NATUAS Nature. 163 (1949),447. |
5-Ethyl-5-(3-methyl-2-butenyl)barbituric acid sodium salt Safety Profile
Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits toxic fumes of NOx and Na2O. See also BARBITURATES.
5-Ethyl-5-(3-methyl-2-butenyl)barbituric acid sodium salt Specification
5-Ethyl-5-(3-methyl-2-butenyl)barbituric acid sodium salt (CAS NO.21149-87-1) is also named as Barbituric acid, 5-ethyl-5-(3-methyl-2-butenyl)-, sodium salt .
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