60573-88-8

60573-88-8 structure

Name: ibotenic acid monohydrate
Chemical Name: (‘±)-Ibotenic acid monohydrate
CAS Number: 60573-88-8
Molecular Formula: C₅H₈N₂O₅
Molecular Weight: 176.12700
Catalog: Biochemical Common amino acids and protein drugs
Create Date: 2018-06-29 16:31:03
Modify Date: 2025-08-25 19:57:32

Name	(‘±)-Ibotenic acid monohydrate
Synonyms	EINECS 218-853-4 2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid,hydrate MFCD00150903

Density	1.621g/cm3
Melting Point	148-151ºC
Molecular Formula	C₅H₈N₂O₅
Molecular Weight	176.12700
Exact Mass	176.04300
PSA	118.55000
Appearance	Powder or Solid \| White to off-white to light yellow
Index of Refraction	1.588
Storage condition	Freezer (-20°C)
Water Solubility	NH4OH 1 M: 50 mg/mL, clear, colorless to yellow

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NY2100000

CHEMICAL NAME :: 5-Isoxazoleacetic acid, alpha-amino-3-hydroxy-, monohydrate

CAS REGISTRY NUMBER :: 60573-88-8

LAST UPDATED :: 199012

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C5-H6-N2-O4.H2-O

MOLECULAR WEIGHT :: 176.15

WISWESSER LINE NOTATION :: T5NOJ CYZVQ EQ &QH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 129 mg/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay)

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,311,1968

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 42 mg/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay)

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,311,1968

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 38 mg/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay)

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,311,1968

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 15 mg/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay)

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,311,1968 *** REVIEWS *** TOXICOLOGY REVIEW LLOYA2 Lloydia. (Cincinnati, OH) V.1-41, 1938-78. For publisher information, see JNPRDF. Volume(issue)/page/year: 38,36,1975

Hazard Codes	T
Risk Phrases	25
Safety Phrases	22-36/37/39-45
RIDADR	UN 3462 6.1/PG 3
WGK Germany	3
RTECS	NY2100000
HS Code	2934999090

115886-04-9

60573-88-8

Literature: Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 359 - 364

115886-05-0

60573-88-8

Literature: Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 359 - 364

115886-06-1

60573-88-8

Literature: Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 359 - 364

Precursor 3
115886-04-9 115886-05-0 115886-06-1
DownStream 0

HS Code	2934999090
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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