(2R)-4-Methyl-2-Propan-2-Yl-2-[2-[4-[4-[2-(3,4,5-Trimethoxyphenyl)Ethyl]Piperazin-1-Yl]Butoxy]Phenyl]-1,4-Benzothiazin-3-One
[CAS# 105118-13-6]

Identification

• Name: (2R)-4-Methyl-2-Propan-2-Yl-2-[2-[4-[4-[2-(3,4,5-Trimethoxyphenyl)Ethyl]Piperazin-1-Yl]Butoxy]Phenyl]-1,4-Benzothiazin-3-One
• Synonyms: (2R)-2-Isopropyl-4-Methyl-2-[2-[4-[4-[2-(3,4,5-Trimethoxyphenyl)Ethyl]Piperazin-1-Yl]Butoxy]Phenyl]-1,4-Benzothiazin-3-One; (2R)-2-Isopropyl-4-Methyl-2-[2-[4-[4-[2-(3,4,5-Trimethoxyphenyl)Ethyl]-1-Piperazinyl]Butoxy]Phenyl]-1,4-Benzothiazin-3-One; ( )-(R)-2-Isopropyl-4-Methyl-2-(O-(4-(4-(3,4,5-Trimethoxyphenethyl)-1-Piperazinyl)Butoxy)Phenyl)-2H-1,4-Benzothiazin-3(4H)-One.
• Molecular Formula: C₃₇H₄₉N₃O₅S
• Molecular Weight: 647.87
• CAS Registry Number: 105118-13-6
• SMILES: [C@@]5(C1=C(C=CC=C1)OCCCCN3CCN(CCC2=CC(=C(OC)C(=C2)OC)OC)CC3)(SC4=C(C=CC=C4)N(C5=O)C)C(C)C
• InChI: 1S/C37H49N3O5S/c1-27(2)37(36(41)38(3)30-14-8-10-16-34(30)46-37)29-13-7-9-15-31(29)45-24-12-11-18-39-20-22-40(23-21-39)19-17-28-25-32(42-4)35(44-6)33(26-28)43-5/h7-10,13-16,25-27H,11-12,17-24H2,1-6H3/t37-/m1/s1
• InChIKey: JSLZUBLGGPEVQN-DIPNUNPCSA-N

Properties

• Density: 1.144g/cm³ (Cal.)
• Boiling point: 784.513°C at 760 mmHg (Cal.)
• Flash point: 428.258°C (Cal.)