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476-32-4

Name CHELIDONINE
CAS 476-32-4
EINECS(EC#) 207-504-1
Molecular Formula C20H19NO5
MDL Number MFCD00069660
Molecular Weight 353.37
MOL File 476-32-4.mol

Chemical Properties

Appearance White, crystalline powder alkaloid.
Melting point  135-140°C
alpha  D22 +115 ±3° (ethanol); D20 +117° (c = 3 in CHCl3)
Boiling point  bp0.002 220° (air-bath temp)
density  1.2976 (rough estimate)
refractive index  1.5800 (estimate)
storage temp.  2-8°C
solubility  Soluble in chloroform; slightly soluble in methan
form  powder
pka 14.11±0.20(Predicted)
color  Colorless
Merck  13,2061
InChI InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1
InChIKey GHKISGDRQRSCII-ZOCIIQOWSA-N
SMILES [C@@H]1(O)[C@@]2([H])[C@]([H])(N(C)CC3=C2C=CC2OCOC3=2)C2C=C3OCOC3=CC=2C1
LogP 2.899 (est)
Uses
Poison; central nervous system depres- sant causing sleepiness, depression, slowing of the pulse, coma and circulatory failure.
CAS DataBase Reference 476-32-4(CAS DataBase Reference)

Safety Data

Hazard Codes  Xn
Risk Statements 
R25:Toxic if swallowed.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S20:When using, do not eat or drink .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
RIDADR  2811
WGK Germany  3
RTECS  FL9450000
Toxicity
LD50 in mice (mg/kg): 34.6 ±2.44 i.v. (Anderson, Chen)

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