Tab Antidote
[CAS# 85150-36-3]

Identification

• Name: Tab Antidote
• Synonyms: 2-Diethylaminoethyl 2-Hydroxy-2,2-Diphenyl-Acetate; [(1R,5S)-8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl] 3-Hydroxy-2-Phenyl-Propanoate; Oxo-[[1-[3-[4-(Oxoazaniumylmethylene)-1-Pyridyl]Propyl]-4-Pyridylidene]Methyl]Ammonium; Dibromide; 2-Hydroxy-2,2-Diphenylacetic Acid 2-Diethylaminoethyl Ester; 3-Hydroxy-2-Phenylpropanoic Acid [(1R,5S)-8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl] Ester
• Molecular Formula: C₅₂H₆₆Br₂N₆O₈
• Molecular Weight: 1062.94
• CAS Registry Number: 85150-36-3
• SMILES: N2(CCCN1C=C\C(C=C1)=C\[NH+]=O)C=C\C(C=C2)=C/[NH+]=O.[C@@H]35N([C@@H](CC3)CC(OC(=O)C(CO)C4=CC=CC=C4)C5)C.[Br-].C(N(CC)CC)COC(=O)C(O)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-]
• InChI: 1S/C20H25NO3.C17H23NO3.C15H16N4O2.2BrH/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18;1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;20-16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-21;;/h5-14,23H,3-4,15-16H2,1-2H3;2-6,13-16,19H,7-11H2,1H3;2-5,8-13H,1,6-7H2;2*1H/t;13-,14+,15?,16?
• InChIKey: ZYMALIHCLNWWJI-DPUNHDFJSA-N

Properties

• Boiling point: 409.3°C at 760 mmHg (Cal.)
• Flash point: 201.4°C (Cal.)