5-[2-[[4-(7,7-Dimethyl-9-Oxo-8-Oxa-10-Azabicyclo[4.4.0]Deca-1,3,5-Trien-10-Yl)-2-Methyl-Butan-2-Yl]Amino]-1-Hydroxy-Ethyl]-2-Hydroxy-N-Methy L-Benzamide, Methanesulfonic Acid
[CAS# 81695-89-8]

Identification

• Name: 5-[2-[[4-(7,7-Dimethyl-9-Oxo-8-Oxa-10-Azabicyclo[4.4.0]Deca-1,3,5-Trien-10-Yl)-2-Methyl-Butan-2-Yl]Amino]-1-Hydroxy-Ethyl]-2-Hydroxy-N-Methy L-Benzamide, Methanesulfonic Acid
• Synonyms: 5-[2-[[3-(4,4-Dimethyl-2-Oxo-3,1-Benzoxazin-1-Yl)-1,1-Dimethyl-Propyl]Amino]-1-Hydroxy-Ethyl]-2-Hydroxy-N-Methyl-Benzamide; Methanesulfonic Acid; 5-[2-[[3-(4,4-Dimethyl-2-Oxo-3,1-Benzoxazin-1-Yl)-1,1-Dimethylpropyl]Amino]-1-Hydroxyethyl]-2-Hydroxy-N-Methylbenzamide; Methanesulfonic Acid; 2-Hydroxy-5-[1-Hydroxy-2-[[3-(2-Keto-4,4-Dimethyl-3,1-Benzoxazin-1-Yl)-1,1-Dimethyl-Propyl]Amino]Ethyl]-N-Methyl-Benzamide; Methanesulfonic Acid
• Molecular Formula: C₂₆H₃₇N₃O₈S
• Molecular Weight: 551.65
• CAS Registry Number: 81695-89-8
• SMILES: C[S](=O)(=O)O.C2=C1C(OC(=O)N(C1=CC=C2)CCC(NCC(O)C3=CC=C(O)C(=C3)C(=O)NC)(C)C)(C)C
• InChI: 1S/C25H33N3O5.CH4O3S/c1-24(2,27-15-21(30)16-10-11-20(29)17(14-16)22(31)26-5)12-13-28-19-9-7-6-8-18(19)25(3,4)33-23(28)32;1-5(2,3)4/h6-11,14,21,27,29-30H,12-13,15H2,1-5H3,(H,26,31);1H3,(H,2,3,4)
• InChIKey: JJLFHTVPHHAKRQ-UHFFFAOYSA-N

Properties

• Boiling point: 649.8°C at 760 mmHg (Cal.)
• Flash point: 346.8°C (Cal.)