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Merck
CN

237787

Ibotenic acid monohydrate from Amanita sp.

97%

Synonym(s):

α-(3-Hydroxy-5-isoxazolyl)glycine, α-Amino-2,3-dihydro-3-oxo-5-isoxazoleacetic acid, α-Amino-3-hydroxy-5-isoxazoleacetic acid

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About This Item

Empirical Formula (Hill Notation):
C5H6N2O4 · H2O
CAS Number:
60573-88-8
Molecular Weight:
176.13
PubChem Substance ID:
329752503
UNSPSC Code:
12352005
Beilstein/REAXYS Number:
1075440
MDL number:
MFCD00150903

Key Documents

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SMILES string

O.NC(C(O)=O)C1=CC(=O)NO1

InChI

1S/C5H6N2O4.H2O/c6-4(5(9)10)2-1-3(8)7-11-2;/h1,4H,6H2,(H,7,8)(H,9,10);1H2

InChI key

QVKQQLYSTODTJN-UHFFFAOYSA-N

assay

97%

mp

148-151 °C

pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H301

Hazard Classifications

Acute Tox. 3 Oral

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
01336BF

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