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| Name |
5-(2-Butenyl)-5-(1-methylbutyl)-2-thiobarbituric acid sodium salt |
EINECS | N/A |
| CAS No. | 67050-11-7 | Density | g/cm3 |
| PSA | 100.10000 | LogP | 2.33040 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H19N2O2S•Na | Boiling Point | °Cat760mmHg |
| Molecular Weight | 290.39 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of SOx, Na2O, and NOx. See also BARBITURATES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
5-(2-Butenyl)-5-(1-methylbutyl)-2-thiobarbituric acid sodium salt Chemical Properties
Molecular structure of 5-(2-Butenyl)-5-(1-methylbutyl)-2-thiobarbituric acid sodium salt (CAS NO.67050-11-7) is:
Product Name: 5-(2-Butenyl)-5-(1-methylbutyl)-2-thiobarbituric acid sodium salt
CAS Registry Number: 67050-11-7
IUPAC Name: sodium 5-[(E)-but-2-enyl]-4,6-dioxo-5-pentan-2-yl-1H-pyrimidine-2-thiolate
Molecular Weight: 290.35693 [g/mol]
Molecular Formula: C13H19N2NaO2S
H-Bond Donor: 1
H-Bond Acceptor: 3
Canonical SMILES: CCCC(C)C1(C(=O)NC(=NC1=O)[S-])CC=CC.[Na+]
Isomeric SMILES: CCCC(C)C1(C(=O)NC(=NC1=O)[S-])C/C=C/C.[Na+]
InChI: InChI=1S/C13H20N2O2S.Na/c1-4-6-8-13(9(3)7-5-2)10(16)14-12(18)15-11(13)17;/h4,6,9H,5,7-8H2,1-3H3,(H2,14,15,16,17,18);/q;+1/p-1/b6-4+
InChIKey: IBMGOGDEPYHLHI-CVDVRWGVSA-M
Classification Code: Drug / Therapeutic Agent
5-(2-Butenyl)-5-(1-methylbutyl)-2-thiobarbituric acid sodium salt Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | intravenous | 49mg/kg (49mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 34, Pg. 183, 1945. |
| rat | LD50 | intraperitoneal | 341mg/kg (341mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 34, Pg. 183, 1945. |
5-(2-Butenyl)-5-(1-methylbutyl)-2-thiobarbituric acid sodium salt Safety Profile
Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of SOx, Na2O, and NOx. See also BARBITURATES.
5-(2-Butenyl)-5-(1-methylbutyl)-2-thiobarbituric acid sodium salt Specification
5-(2-Butenyl)-5-(1-methylbutyl)-2-thiobarbituric acid sodium salt , its cas register number is 67050-11-7. It also can be called Barbituric acid, 5-(2-butenyl)-5-(1-methylbutyl)-2-thio-, sodium salt .
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