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CYCLOPIAZONIC ACID Structure

CYCLOPIAZONIC ACID

Chemical Properties

Melting point 245-246°C
Boiling point 472.86°C (rough estimate)
Density  1.2171 (rough estimate)
refractive index  1.5700 (estimate)
storage temp.  -20°C
solubility  DMSO: soluble
form  powder
pka 4.50±1.00(Predicted)
color  white to off-white
Water Solubility  Soluble in DMSO (100 mM), ethanol (5 mM), DMF (~20 mg/ml), and 1:1 DMSO:PBS(pH 7.2) (0.5 mg/ml). Insoluble in water.
InChI 1S/C20H22N2O3/c1-10(23)15-18(24)17-12-9-21-14-7-5-6-11(16(12)14)8-13(17)20(2,3)22(4)19(15)25/h5-7,9,13,17,21,23H,8H2,1-4H3/b15-10-
InChIKey WJCPGKDPOYBOOJ-GDNBJRDFSA-N
SMILES CN1C(=O)C(=C(\C)O)\C(=O)C2C(Cc3cccc4[nH]cc2c34)C1(C)C
EPA Substance Registry System Cyclopiazonic acid (18172-33-3)

Safety Information

Hazard Codes  T
Risk Statements  25
Safety Statements  36/37/39-45
RIDADR  UN 2811 6.1/PG 2
WGK Germany  3
RTECS  UY8587000
HazardClass  6.1(a)
PackingGroup  II
HS Code  29337900
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 2 Oral
Hazardous Substances Data 18172-33-3(Hazardous Substances Data)
Toxicity chicken,LD50,oral,12mg/kg (12mg/kg),Poultry Science. Vol. 65(Suppl,

MSDS

Usage And Synthesis

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