Ergoline-8-carboxylic acid, 2-bromo-9,10-didehydro-6-methyl-, (8β)-
Bezeichnung:Ergoline-8-carboxylic acid, 2-bromo-9,10-didehydro-6-methyl-, (8β)-
CAS-Nr478-83-1
Englisch Name:Ergoline-8-carboxylic acid, 2-bromo-9,10-didehydro-6-methyl-, (8β)-
CBNumberCB24836926
SummenformelC16H15BrN2O2
Molgewicht347.21
MOL-Datei478-83-1.mol
Ergoline-8-carboxylic acid, 2-bromo-9,10-didehydro-6-methyl-, (8β)- physikalisch-chemischer Eigenschaften
| Siedepunkt | 579.0±50.0 °C(Predicted) |
| Dichte | 1.69±0.1 g/cm3(Predicted) |
| pka | 2.98±0.20(Predicted) |
| InChI | InChI=1/C16H15BrN2O2/c1-19-7-8(16(20)21)5-10-9-3-2-4-12-14(9)11(6-13(10)19)15(17)18-12/h2-5,8,13,18H,6-7H2,1H3,(H,20,21)/t8-,13-/s3 |
| InChIKey | IPSOSLBLNUSDJQ-IJNSUFHQNA-N |
| SMILES | BrC1NC2=CC=CC3C4=C[C@@H](C(=O)O)CN(C)[C@]4([H])CC=1C2=3 |&1:10,17,r| |