Ibotenic acid supplier | CasNO.2552-55-8

Name
IBOTENIC ACID
EINECS
CAS No. 2552-55-8
Article Data8
CAS DataBase
Density 1.622 g/cm³
Solubility
Melting Point 141-147 °C
Formula C₅H₆N₂O₄
Boiling Point
Molecular Weight 158.114
Flash Point
Transport Information
Appearance White powder
Safety 45-38-36/37/39-28A-22-36
Risk Codes 23/24/25-25-40
Molecular Structure
Hazard Symbols T,Xn
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;
PSA 109.58000
LogP 0.16490

Ibotenic acid Chemical Properties

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 Uses

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 Production

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.

Ibotenic acid Toxicity Data With Reference

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.

Ibotenic acid Safety Profile

Hazard Codes: Toxic T, Harmful 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

Ibotenic acid Specification

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).

Product Name

IBOTENIC ACID