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CAS No.: | 64058-13-5 |
---|---|
Name: | 5-Allyl-5-benzyl-2-sodiothio-4,6(1H,5H)-pyrimidinedione |
Molecular Structure: | |
Formula: | C14H14 N2 O2 S . Na |
Molecular Weight: | 297.35 |
Synonyms: | 4,6(1H,5H)-Pyrimidinedione,dihydro-5-(phenylmethyl)-5-(2-propenyl)-2-thioxo-, monosodium salt (9CI) |
Density: | g/cm3 |
Boiling Point: | °Cat760mmHg |
Flash Point: | °C |
Safety: | Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx, Na2O, and SOx. See also BARBITURATES and ALLYL COMPOUNDS. |
PSA: | 100.10000 |
LogP: | 1.74680 |
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Product Name: 5-Allyl-5-benzyl-2-thiobarbituric acid sodium salt (CAS NO.64058-13-5)
Molecular Formula: C14H13N2NaO2S
Molecular Weight: 296.32g/mol
Mol File: 64058-13-5.mol
H-Bond Donor: 1
H-Bond Acceptor: 3
IUPAC Name: sodium 5-benzyl-4,6-dioxo-5-prop-2-enyl-1H-pyrimidine-2-thiolate
Canonical SMILES: C=CCC1(C(=O)NC(=NC1=O)[S-])CC2=CC=CC=C2.[Na+]
InChI: InChI=1S/C14H14N2O2S.Na/c1-2-8-14(9-10-6-4-3-5-7-10)11(17)15-13(19)16-12
(14)18;/h2-7H,1,8-9H2,(H2,15,16,17,18,19);/q;+1/p-1
InChIKey: WVCDAZIUWWHWKP-UHFFFAOYSA-M
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LDLo | intraperitoneal | 20mg/kg (20mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937. |
rat | LDLo | oral | 40mg/kg (40mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937. |
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx, Na2O, and SOx. See also BARBITURATES and ALLYL COMPOUNDS.
5-Allyl-5-benzyl-2-thiobarbituric acid sodium salt ,its CAS NO. is 64058-13-5,the synonyms is Sodium allylbenzyl thiobarbiturate ; Barbituric acid, 5-allyl-5-benzyl-2-thio-, sodium salt .