ibotenic acid monohydrate

Modify Date: 2025-08-25 19:57:32

ibotenic acid monohydrate Structure
ibotenic acid monohydrate structure
 Common Name ibotenic acid monohydrate
CAS Number 60573-88-8 Molecular Weight 176.12700
Density 1.621g/cm3 Boiling Point N/A
Molecular Formula C5H8N2O5 Melting Point 148-151ºC
MSDS N/A Flash Point N/A

 Names

Name (‘±)-Ibotenic acid monohydrate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.621g/cm3
Melting Point 148-151ºC
Molecular Formula C5H8N2O5
Molecular Weight 176.12700
Exact Mass 176.04300
PSA 118.55000
Appearance of Characters Powder or Solid | White to off-white to light yellow
Index of Refraction 1.588
InChIKey QVKQQLYSTODTJN-UHFFFAOYSA-N
SMILES NC(C(=O)O)c1cc(=O)[nH]o1.O
Storage condition Freezer (-20°C)
Water Solubility NH4OH 1 M: 50 mg/mL, clear, colorless to yellow

 Toxicological Information

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

 Safety Information

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

 Synthetic Route

3-benzyloxyisoxazol-5-ylacetic acid structure

3-benzyloxyisox...

CAS#:115886-04-9

~%

ibotenic acid monohydrate Structure

ibotenic acid m...

CAS#:60573-88-8

Literature: Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 359 - 364
benzyl 3-benzyloxyisoxazol-5-ylacetate structure

benzyl 3-benzyl...

CAS#:115886-05-0

~%

ibotenic acid monohydrate Structure

ibotenic acid m...

CAS#:60573-88-8

Literature: Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 359 - 364
(E,Z)-benzylα-hydroxyimino-3-benzyloxyisoxazol-5-ylacetate structure

(E,Z)-benzylα-h...

CAS#:115886-06-1

~%

ibotenic acid monohydrate Structure

ibotenic acid m...

CAS#:60573-88-8

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

 Customs

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

 Synonyms

EINECS 218-853-4
2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid,hydrate
MFCD00150903
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