Ebselen

The Ebselen, with the CAS registry number 60940-34-3, has the systematic name of 2-phenyl-1,2-benzoselenazol-3(2H)-one. It is a kind of yellow to beige crystalline powder, and belongs to the product category of Glutamate receptor. And the molecular formula of this chemical is C₁₃H₉NOSe. What's more, it should be stored at 2-8°C.

The physical properties of Ebselen are as following: (1)H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 20.31 Å²; (5)Flash Point: 197.4 °C; (6)Enthalpy of Vaporization: 65.39 kJ/mol; (7)Boiling Point: 402.8 °C at 760 mmHg; (8)Vapour Pressure: 1.07E-06 mmHg at 25°C.

Preparation of Ebselen: It can be prepared by aniline and 2-chloroselanyl-benzoyl chloride. This reaction will need solvent acetonitrile. The reaction time is 3 hours with ambient temperature, and the yield is about 88%.   

Uses of Ebselen: It is being investigated as a possible treatment for reperfusion injury and stroke, as well as tinnitus. It is a potent scavenger of hydrogen peroxide as well as hydroperoxides including membrane bound phospholipid and cholesterylester hydroperoxides. And it is usually used as anti-inflammatory drugs.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also toxic by inhalation and if swallowed. it is also very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. What's more, it has danger of cumulative effects. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; When using, do not eat, drink or smoke; After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer); This material and/or its container must be disposed of as hazardous waste; Avoid release to the environment. Refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c3ccccc3[Se]N1c2ccccc2
(2)InChI: InChI=1/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
(3)InChIKey: DYEFUKCXAQOFHX-UHFFFAOYAZ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	oral	5gm/kg (5000mg/kg)	SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 25(Suppl,
pig	LD	oral	> 2gm/kg (2000mg/kg)		Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 25(Suppl,
rat	LD	oral	> 4600mg/kg (4600mg/kg)		European Patent Application. Vol. #0044971,