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5-Allyl-5-benzyl-2-thiobarbituric acid sodium salt

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Name

5-Allyl-5-benzyl-2-thiobarbituric acid sodium salt

EINECS N/A
CAS No. 64058-13-5 Density g/cm3
PSA 100.10000 LogP 1.74680
Solubility N/A Melting Point N/A
Formula C14H14 N2 O2 S . Na Boiling Point °Cat760mmHg
Molecular Weight 297.35 Flash Point °C
Transport Information N/A Appearance N/A
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. Risk Codes N/A
Molecular Structure Molecular Structure of 64058-13-5 (5-Allyl-5-benzyl-2-sodiothio-4,6(1H,5H)-pyrimidinedione) Hazard Symbols N/A
Synonyms

4,6(1H,5H)-Pyrimidinedione,dihydro-5-(phenylmethyl)-5-(2-propenyl)-2-thioxo-, monosodium salt (9CI)

 

5-Allyl-5-benzyl-2-thiobarbituric acid sodium salt Chemical Properties

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

5-Allyl-5-benzyl-2-thiobarbituric acid sodium salt Toxicity Data With Reference

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.

5-Allyl-5-benzyl-2-thiobarbituric acid sodium salt Safety Profile

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 Specification

 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 .

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