(2R-(2-alpha,3-beta(S*)))-3-(((3-Methyl-1-((4-((2,3,4-trimethoxyphenyl)methyl)-1-piperazinyl)carbonyl)butyl)amino)carbonyl)oxiranecarboxylic acid ethyl ester sulfate (2:1)
[CAS# 84579-82-8]

Identification

• Name: (2R-(2-alpha,3-beta(S*)))-3-(((3-Methyl-1-((4-((2,3,4-trimethoxyphenyl)methyl)-1-piperazinyl)carbonyl)butyl)amino)carbonyl)oxiranecarboxylic acid ethyl ester sulfate (2:1)
• Synonyms: Ethyl (2R,3R)-3-[[3-Methyl-1-[4-[(2,3,4-Trimethoxyphenyl)Methyl]Piperazine-1-Carbonyl]Butyl]Carbamoyl]Oxirane-2-Carboxylate; Sulfuric Acid; (2R,3R)-3-[[[3-Methyl-1-[Oxo-[4-[(2,3,4-Trimethoxyphenyl)Methyl]-1-Piperazinyl]Methyl]Butyl]Amino]-Oxomethyl]-2-Oxiranecarboxylic Acid Ethyl Ester; Sulfuric Acid; (2R,3R)-3-[[3-Methyl-1-[4-(2,3,4-Trimethoxybenzyl)Piperazine-1-Carbonyl]Butyl]Carbamoyl]Oxirane-2-Carboxylic Acid Ethyl Ester; Sulfuric Acid
• Molecular Formula: C₅₂H₈₀N₆O₂₀S
• Molecular Weight: 1141.29
• CAS Registry Number: 84579-82-8
• SMILES: [C@H]1(O[C@H]1C(OCC)=O)C(=O)NC(C(=O)N3CCN(CC2=CC=C(OC)C(=C2OC)OC)CC3)CC(C)C.[C@H]4(O[C@H]4C(OCC)=O)C(=O)NC(C(=O)N6CCN(CC5=CC=C(OC)C(=C5OC)OC)CC6)CC(C)C.O=[S](=O)(O)O
• InChI: 1S/2C26H39N3O8.H2O4S/c2*1-7-36-26(32)23-22(37-23)24(30)27-18(14-16(2)3)25(31)29-12-10-28(11-13-29)15-17-8-9-19(33-4)21(35-6)20(17)34-5;1-5(2,3)4/h2*8-9,16,18,22-23H,7,10-15H2,1-6H3,(H,27,30);(H2,1,2,3,4)/t2*18?,22-,23-;/m11./s1
• InChIKey: AWNIEFSZNNQBRL-ZCNUETMSSA-N

Properties

• Boiling point: 668.8°C at 760 mmHg (Cal.)
• Flash point: 358.3°C (Cal.)