5-(3-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-1-oxopropyl)-2,3,4,5-tetrahydro-1,5-Benzothiazepine (E)-2-butenedioate (1:1)
[CAS# 105394-80-7]

Identification

• Name: 5-(3-((2-(3,4-Dimethoxyphenyl)ethyl)amino)-1-oxopropyl)-2,3,4,5-tetrahydro-1,5-Benzothiazepine (E)-2-butenedioate (1:1)
• Synonyms: Kt-362; 1,5-Benzothiazepine, 2,3,4,5-Tetrahydro-5-(3-((2-(3,4-Dimethoxyphenyl)Ethyl)Amino)-1-Oxopropyl)-, (E)-2-Butenedioate (1:1); 1,5-Benzothiazepine, 5-(3-((2-(3,4-Dimethoxyphenyl)Ethyl)Amino)-1-Oxopropyl)-2,3,4,5-Tetrahydro-, (E)-2-Butenedioate (1:1)
• Molecular Formula: C₂₆H₃₂N₂O₇S
• Molecular Weight: 516.61
• CAS Registry Number: 105394-80-7
• SMILES: C1=CC=CC3=C1N(C(=O)CCNCCC2=CC(=C(OC)C=C2)OC)CCCS3.O=C(O)\C=C\C(=O)O
• InChI: 1S/C22H28N2O3S.C4H4O4/c1-26-19-9-8-17(16-20(19)27-2)10-12-23-13-11-22(25)24-14-5-15-28-21-7-4-3-6-18(21)24;5-3(6)1-2-4(7)8/h3-4,6-9,16,23H,5,10-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: YIVXAQUBENUHJC-WLHGVMLRSA-N