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About This Item
Empirical Formula (Hill Notation):
C21H22N2O2
CAS Number:
Molecular Weight:
334.41
NACRES:
NA.24
UNSPSC Code:
41116107
Beilstein/REAXYS Number:
52979
MDL number:
grade
primary reference standard
product line
phyproof® Reference Substance
assay
≥90.0% (HPLC)
manufacturer/tradename
PhytoLab
mp
284-286 °C (lit.)
application(s)
food and beverages
format
neat
SMILES string
[H][C@@]12CC(=O)N3c4ccccc4[C@]56CC[N@H]7CC(=CCO1)[C@]([H])(C[C@@H]57)[C@]2([H])[C@]36[H]
InChI
1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1
InChI key
QMGVPVSNSZLJIA-FVWCLLPLSA-N
General description
This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG
Biochem/physiol Actions
Convulsant; glycine receptor antagonist not associated with the NMDA receptor.
Legal Information
phyproof is a registered trademark of PhytoLab GmbH & Co. KG
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 1 Dermal - Acute Tox. 1 Oral - Aquatic Acute 1 - Aquatic Chronic 1
Storage Class
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 2
Regulatory Information
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