Synonyms:

(5’-alpha)-ropyl);,6’,18-trione;2-bromo-12’-hydroxy-2’-(1-methylethyl)-5’-alpha-(2-methylpropyl)ergotamin-3’;2-bromo-alpha-ergocryptine;2-bromo-alpha-ergokryptin;2-bromo-alpha-ergokryptine;2-bromo-ergocryptin;2-bromoergocryptine

Canonical SMILES: CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O

Density:1.2734(roughestimate)

Boiling Point:891.3±65.0°C(Predicted)

Refractive Index:1.6400(estimate)

Melting Point: 215-218°(dec)

PKA: pKa4.90±0.05(80%MCSt=RT)(Uncertain)