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| CAS No.: | 18174-72-6 |
|---|---|
| Name: | MUSCIMOL HYDRATE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C4H7BrN2O2 |
| Molecular Weight: | 195.016 |
| Synonyms: | 3(2H)-Isoxazolone,5-(aminomethyl)-, hydrobromide (1:1);3-Isoxazolol, 5-(aminomethyl)-, monohydrobromide(8CI);3(2H)-Isoxazolone,5-(aminomethyl)-, monohydrobromide (9CI);5-(Aminomethyl)-3(2H)-isoxazolonmonohydrobromide;5-(Aminomethyl)-1,2-oxazol-3(2H)-one; |
| Density: | 1.291 g/cm3 |
| Melting Point: | 172 °C |
| Boiling Point: | 325 °C at 760 mmHg |
| Flash Point: | 150.4 °C |
| Appearance: | off-white powder |
| Hazard Symbols: |
 T
|
| Risk Codes: | 25 |
| Safety: | 22-36/37/39-45 |
| PSA: | 72.28000 |
| LogP: | 1.49730 |
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Specification
The Muscimol hydrobromide, with the CAS registry number 18174-72-6, is also known as 5-(Aminomethyl)-3(2H)-isoxazolonmonohydrobromide. This chemical's molecular formula is C4H7BrN2O2 and molecular weight is 195.01. What's more, its systematic name is 5-(Aminomethyl)-1,2-oxazol-3(2H)-one. It should be sealed and stored in cool and dry places at the temperature of 2-8 °C.It is a tan Solid which is a potent but toxic structural analogue of g-aminobutyric acid (gaba), with a zwitterionic structure that can cross the blood-brain barrier.
Physical properties of Muscimol hydrobromide are:
(1)ACD/LogP: -0.444; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1.00; (4)ACD/BCF (pH 7.4): 1.00; (5)ACD/KOC (pH 5.5): 1.00; (6)ACD/KOC (pH 7.4): 1.00; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Flash Point: 93.4 °C; (11)Enthalpy of Vaporization: 48.26 kJ/mol; (12)Boiling Point: 230.8 °C at 760 mmHg; (13)Vapour Pressure: 0.0463 mmHg at 25°C.
Safety information of Muscimol hydrobromide:
When you are using this chemical, please be cautious about it as the following:You should not swallow it or breathe dust of it. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(ONC1=O)CN.Br
(2)InChI: InChI=1S/C4H6N2O2.BrH/c5-2-3-1-4(7)6-8-3;/h1H,2,5H2,(H,6,7);1H
(3)InChIKey: OPZOJWHOZRKYQX-UHFFFAOYSA-N
The toxicity data of Muscimol hydrobromide as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 13844ug/kg (13.844mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Neuropharmacology. Vol. 21, Pg. 803, 1982. |