(8-beta)-13-Bromo-1-(Cyclopropylmethyl)-6,8-Dimethylergoline
[CAS# 122367-97-9]

Identification

• Name: (8-beta)-13-Bromo-1-(Cyclopropylmethyl)-6,8-Dimethylergoline
• Synonyms: (8-Beta)-13-Bromo-1-(Cyclopropylmethyl)-6,8-Dimethylergoline; 13-Bromo-1-Cyclopropylmethylfestuclavine; Ccris 6642
• Molecular Formula: C₂₀H₂₅BrN₂
• Molecular Weight: 373.33
• CAS Registry Number: 122367-97-9
• SMILES: [C@@H]34CC1=C[N](C2=CC(=CC(=C12)C3C[C@H](CN4C)C)Br)CC5CC5
• InChI: 1S/C20H25BrN2/c1-12-5-16-17-7-15(21)8-19-20(17)14(6-18(16)22(2)9-12)11-23(19)10-13-3-4-13/h7-8,11-13,16,18H,3-6,9-10H2,1-2H3/t12-,16?,18-/m1/s1
• InChIKey: PQBURNFCYKPOGL-VALIOXDKSA-N

Properties

• Density: 1.528g/cm³ (Cal.)
• Boiling point: 492.401°C at 760 mmHg (Cal.)
• Flash point: 251.595°C (Cal.)