Bromadoline
[CAS# 81447-81-6]

Identification

• Name: Bromadoline
• Synonyms: Bromadoline Maleate; Benzamide, 4-Bromo-N-(2-(Dimethylamino)Cyclohexyl)-, Trans-, (Z)-2-Butenedioate (1:1); Bromadoline Maleate [Usan]
• Molecular Formula: C₁₉H₂₅BrN₂O₅
• Molecular Weight: 441.32
• CAS Registry Number: 81447-81-6 (67579-24-2)
• SMILES: [C@@H]2(NC(=O)C1=CC=C(Br)C=C1)[C@@H](N(C)C)CCCC2.O=C(O)\C=C/C(=O)O
• InChI: 1S/C15H21BrN2O.C4H4O4/c1-18(2)14-6-4-3-5-13(14)17-15(19)11-7-9-12(16)10-8-11;5-3(6)1-2-4(7)8/h7-10,13-14H,3-6H2,1-2H3,(H,17,19);1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-,14-;/m0./s1
• InChIKey: XHCXKGFNPZETQY-YHPCKPBFSA-N

Properties

• Boiling point: 444.7°C at 760 mmHg (Cal.)
• Flash point: 222.8°C (Cal.)