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CAS No.: | 2552-55-8 |
---|---|
Name: | IBOTENIC ACID |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C5H6N2O4 |
Molecular Weight: | 158.114 |
Synonyms: | 4-Isoxazoline-5-aceticacid, a-amino-3-oxo- (8CI);5-Isoxazoleacetic acid, a-amino-3-hydroxy- (7CI);(RS)-Ibotenic acid;DL-Ibotenic acid;NSC204850; |
Density: | 1.622 g/cm3 |
Melting Point: | 141-147 °C |
Appearance: | White powder |
Hazard Symbols: | T,Xn |
Risk Codes: | 23/24/25-25-40 |
Safety: | 45-38-36/37/39-28A-22-36 |
PSA: | 109.58000 |
LogP: | 0.16490 |
IUPAC Name: 2-Amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid
Synonyms of Ibotenic acid (CAS NO.2552-55-8): 5-Isoxazoleacetic acid,a-amino-2,3-dihydro-3-oxo- ; Amanita muscaria ; alpha-Amino-2,3-dihydro-3-oxo-5-isoxazoleacetic acid ; 4-Isoxazoline-5-acetic acid, alpha-amino-3-oxo- (8CI)
CAS NO: 2552-55-8
Molecular Formula: C5H6N2O4
Molecular Weight: 158.1121
Molecular Structure:
H bond acceptors: 6
H bond donors: 4
Freely Rotating Bonds: 3
Polar Surface Area: 59.08 Å2
Index of Refraction: 1.588
Molar Refractivity: 32.85 cm3
Molar Volume: 97.4 cm3
Surface Tension: 76.3 dyne/cm
Density: 1.621 g/cm3
Melting Point: 141-147 °C
Storage temp: -20°C
SMILES: O=C1/C=C(\ON1)C(C(=O)O)N
InChI: InChI=1/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)
InChIKey: IRJCBFDCFXCWGO-UHFFFAOYAQ
Std. InChI: InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)
Std. InChIKey: IRJCBFDCFXCWGO-UHFFFAOYSA-N
Product Categories: OXAZOLE;Plant Oils, Toxins, Phenolic Acids & Derivatives;Glutamate receptor;Glutamate
Ibotenic acid (CAS NO.2552-55-8) is a powerful neurotoxin ,thus it is used as a "brain-lesioning agent". When "injected" directly into the brains of mice and ratsand, Ibotenic acid has shown to be highly neurotoxic.
Ibotenic acid is a chemical compound that is naturally occurring in the mushrooms Amanita muscaria and Amanita pantherina, among others. In 1960's, Ibotenic acid was originally isolated from Amanita ibotengutake in Japan.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 15mg/kg (15mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 311, 1968. |
mouse | LD50 | oral | 38mg/kg (38mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 311, 1968. |
rat | LD50 | intravenous | 42mg/kg (42mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 311, 1968. |
rat | LD50 | oral | 129mg/kg (129mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 311, 1968. |
Hazard Codes: T,Xn
Risk Statements: 23/24/25-40
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.
R40: Limited evidence of a carcinogenic effect.
Safety Statements: 45-38-36/37/39-28-22
S22: Do not breathe dust.
S28: After contact with skin, wash immediately with plenty of soap-suds.
S38: In case of insufficient ventilation, wear suitable respiratory equipment.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 1544
RTECS: NY2100000
HazardClass: 6.1(b)
PackingGroup: III
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.
Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage: Store in a tightly closed container. Deep freeze (below -20°C).