Bubulin
[CAS# 8072-45-5]

Identification

• Name: Bubulin
• Synonyms: 2-[3-(8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl)Phenyl]Propaneperoxoic Acid; 1-Methylpyridin-1-Ium-3-Carbaldehyde Oxime; Sulfuric Acid; 2,2,2-Trichloro-1-Dimethoxyphosphoryl-Ethanol; Iodide; 2-[3-(8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl)Phenyl]Propaneperoxoic Acid
• Molecular Formula: C₄₅H₆₅Cl₃IN₄O₁₅PS
• Molecular Weight: 1198.32
• CAS Registry Number: 8072-45-5
• SMILES: N1(C2CC(CC1CC2)C3=CC(=CC=C3)C(C)C(OO)=O)C.[N+]4(=CC=CC(=C4)/C=N/O)C.C5(CC6N(C(C5)CC6)C)C7=CC(=CC=C7)C(C)C(OO)=O.CO[P](OC)(=O)C(O)C(Cl)(Cl)Cl.O=[S](O)(O)=O.[I-]
• InChI: 1S/2C17H23NO3.C7H8N2O.C4H8Cl3O4P.HI.H2O4S/c2*1-11(17(19)21-20)12-4-3-5-13(8-12)14-9-15-6-7-16(10-14)18(15)2;1-9-4-2-3-7(6-9)5-8-10;1-10-12(9,11-2)3(8)4(5,6)7;;1-5(2,3)4/h2*3-5,8,11,14-16,20H,6-7,9-10H2,1-2H3;2-6H,1H3;3,8H,1-2H3;1H;(H2,1,2,3,4)/b;;8-5+
• InChIKey: INPMCMNCINXKQP-SZTWBEMGSA-N

Properties

• Boiling point: 422.8°C at 760 mmHg (Cal.)
• Flash point: 209.5°C (Cal.)