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| CAS No.: | 2763-96-4 |
|---|---|
| Name: | MUSCIMOL |
| Article Data: | 24 |
| Molecular Structure: | |
|
|
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| Formula: | C4H6N2O2 |
| Molecular Weight: | 114.104 |
| Synonyms: | 4-Isoxazolin-3-one,5-(aminomethyl)- (7CI,8CI);3-Hydroxy-5-aminomethylisoxazole;5-(Aminomethyl)-3-isoxazolol;Agarin;Agarine;Muscimol;NSC 333569;Pantherine; |
| EINECS: | 220-430-4 |
| Density: | 1.291g/cm3 |
| Melting Point: | 175-176°C |
| Boiling Point: | 325°Cat760mmHg |
| Flash Point: | 150.4°C |
| Solubility: | 5.67E+05 mg/L at 25 °C in water |
| Appearance: | white to off-white powder |
| Hazard Symbols: |
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| Risk Codes: | 25 |
| Safety: | Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. Human systemic effects by an unspecified route: sleep, nausea or vomiting, hallucinations and distorted perceptions. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 72.28000 |
| LogP: | 0.53920 |
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Chemistry
IUPAC Name: 5-(Aminomethyl)-1,2-oxazol-3-one
Molecular Weight: 114.10264 g/mol
Molecular Formula: C4H6N2O2
Density: 1.291 g/cm3
Melting Point: 175 °C
Boiling Point: 325 °C at 760 mmHg
Flash Point: 150.4 °C
Water Solubility: 5.67E+05 mg/L at 25 °C
Storage temp.: 2-8 °C
Appreance: white to off-white powder
Henry's Law Constant: 1.61E-12 atm-m3/mole at 25 °C
Atmospheric OH Rate Constant: 6.56E-11 cm3/molecule-sec at 25 °C
Molar Volume: 88.3 cm3
Surface Tension: 44.3 dyne/cm
Enthalpy of Vaporization: 58.97 kJ/mol
Vapour Pressure: 0.000125 mmHg at 25 °C
XLogP3-AA: -1.4
H-Bond Donor: 2
H-Bond Acceptor: 3
EINECS: 220-430-4
Product Categories: Plant Oils, Toxins, Phenolic Acids & Derivatives; Heterocyclic Compounds; Enzyme substrates; Neurochemicals; GABA/Glycine receptor
Uses
5-Aminomethyl-3-isoxyzole (CAS NO.2763-96-4) is a potent but toxic structural analogue of g-aminobutyric acid (GABA), with a zwitterionic structure that can cross the blood-brain barrier. And 5-Aminomethyl-3-isoxyzole formerly used as a sedative and an anti-emetic.
Toxicity Data With Reference
| 1. | unk-hmn TDLo:109 µg/kg:CNS,GIT | ARZNAD Arzneimittel-Forschung. Drug Research. 18 (1968),311. | ||
| 2. | orl-rat LD50:45 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 18 (1968),311. | ||
| 3. | ivn-rat LD50:4500 µg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 18 (1968),311. | ||
| 4. | ipr-mus LD50:2500 µg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 18 (1968),311. | ||
| 5. | scu-mus LD50:3800 µg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 18 (1968),311. | ||
| 6. | ivn-mus LD50:5620 µg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#11824 . | ||
| 7. | ivn-rbt LDLo:10 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 18 (1968),311. |
Consensus Reports
Reported in EPA TSCA Inventory. EPA Extremely Hazardous Substances List.
Safety Profile
Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. Human systemic effects by an unspecified route: sleep, nausea or vomiting, hallucinations and distorted perceptions. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes: 
T
Risk Statements: 25
R25: Toxic if swallowed
Safety Statements: 22-36/37/39-45
S22: Do not breathe dust
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible)
RIDADR: UN 1544 6.1/PG 2
WGK Germany: 3
RTECS: NY3345000
F: 3-10
HazardClass: 6.1(a)
PackingGroup: II
Specification
5-Aminomethyl-3-isoxyzole (CAS NO.2763-96-4) is also called 3(2H)isoxazoione, 5-(aminomethyl)- ; 3-Hydroxy-5-aminomethylisoxazole-agarin ; 5-(Aminomethyl)-3(2h)-isoxazolon ; 5-(Aminomethyl)-3-isoxazolo ; 5-Aminomethyl-3-isoxyzole ; Agarine ; Pantherin ; Rcrawastenumberp007 . 5-Aminomethyl-3-isoxyzole is a ketone and an amine. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. 5-Aminomethyl-3-isoxyzole is a natural constituent of amanita mushrooms and is extremely toxic. It is a potent central nervous system depressant, and is believed to be responsible for most of the nervous system effects that result from eating this mushroom. The lowest toxic dose in humans has been reported at 109 mg/kg. When heated to decomposition, 5-Aminomethyl-3-isoxyzole emits toxic fumes of nitrogen oxides.