Bromerguride
[CAS# 83455-48-5]

Identification

• Name: Bromerguride
• Synonyms: Zk-95451; 3-(2-Bromo-9,10-Didehydro-6-Methylergolin-8Alpha-Yl)-1,1-Diethylurea; Bromergurida [Spanish]
• Molecular Formula: C₂₀H₂₅BrN₄O
• Molecular Weight: 417.35
• CAS Registry Number: 83455-48-5
• SMILES: [C@@H]14C(=C[C@H](NC(N(CC)CC)=O)CN1C)C2=CC=CC3=C2C(=C(Br)[NH]3)C4
• InChI: 1S/C20H25BrN4O/c1-4-25(5-2)20(26)22-12-9-14-13-7-6-8-16-18(13)15(19(21)23-16)10-17(14)24(3)11-12/h6-9,12,17,23H,4-5,10-11H2,1-3H3,(H,22,26)/t12-,17+/m0/s1
• InChIKey: SBHNNNRQZGYOAU-YVEFUNNKSA-N

Properties

• Density: 1.458g/cm³ (Cal.)
• Boiling point: 641.368°C at 760 mmHg (Cal.)
• Flash point: 341.687°C (Cal.)