6-Allyl-8beta-carboxyergoline
- Product Name6-Allyl-8beta-carboxyergoline
- CAS81409-74-7
- CBNumberCB6167518
- MFC18H20N2O2
- MW296.36
- MDL NumberMFCD07368167
- MOL File81409-74-7.mol
- MSDS FileSDS
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| |
| FDA UNII | 1A04W9L14A |
