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Calcipotriene Structure

Calcipotriene

Chemical Properties

Melting point 166-168°C
Boiling point 582.0±50.0 °C(Predicted)
Density  1.12±0.1 g/cm3(Predicted)
storage temp.  Desiccate at -20°C
solubility  DMSO: soluble15mg/mL, clear
form  powder
pka 14.29±0.20(Predicted)
Stability Light and Temperature Sensitive, Light And Temperature Sensitive
InChIKey LWQQLNNNIPYSNX-HCHVWAPNSA-N
SMILES [C@@H]1(O)C/C(=C/C=C2\CCC[C@@]3(C)[C@@]\2([H])CC[C@@H]3[C@H](C)/C=C/[C@H](C2CC2)O)/C(=C)[C@@H](O)C1
CAS DataBase Reference 112965-21-6(CAS DataBase Reference)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26
RIDADR  UN 2811 6.1 / PGIII
WGK Germany  3
HS Code  2906195000
Toxicity dog,LD50,skin,> 1500ug/kg (1.5mg/kg),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)MUSCULOSKELETAL: OTHER CHANGESGASTROINTESTINAL: NAUSEA OR VOMITING,Journal of Toxicological Sciences. Vol. 21(Suppl,

MSDS

Usage And Synthesis

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