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6-Allyl-8beta-carboxyergoline Structure

6-Allyl-8beta-carboxyergoline

Chemical Properties

Melting point >160oC(dec.)
Boiling point 530.4±50.0 °C(Predicted)
Density  1.258
storage temp.  Amber Vial, -20°C Freezer
solubility  Dioxane (Sparingly), DMSO, Methanol (Sparingly)
pka 3.77±0.20(Predicted)
form  Solid
color  White to Light Beige to Pale Brown
InChI InChI=1/C18H20N2O2/c1-2-6-20-10-12(18(21)22)7-14-13-4-3-5-15-17(13)11(9-19-15)8-16(14)20/h2-5,9,12,14,16,19H,1,6-8,10H2,(H,21,22)/t12,14-,16-/s3
InChIKey YAICYXFUKKMAKO-SSILCPKXNA-N
SMILES [C@]12([H])CC(C(O)=O)CN(CC=C)[C@]1([H])CC1=CNC3=CC=CC2=C13 |&1:0,12,r|

Usage And Synthesis

6-Allyl-8beta-carboxyergoline Supplier