2-n-Butoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamido)benzothiazole dioxalate
[CAS# 77563-16-7]

Identification

• Name: 2-n-Butoxy-6-(N-(1-methyl-2-(4-phenethylpiperazino)ethyl)propionamido)benzothiazole dioxalate
• Synonyms: Propanamide, N-(2-Butoxy-6-Benzothiazolyl)-N-(1-Methyl-2-(4-(2-Phenylethyl)-1-Piperazinyl)Ethyl)-, Ethanedioate (1:2)
• Molecular Formula: C₃₃H₄₄N₄O₁₀S
• Molecular Weight: 688.79
• CAS Registry Number: 77563-16-7
• SMILES: C2=C1SC(=NC1=CC=C2N(C(CN3CCN(CC3)CCC4=CC=CC=C4)C)C(=O)CC)OCCCC.O=C(O)C(=O)O.O=C(O)C(=O)O
• InChI: 1S/C29H40N4O2S.2C2H2O4/c1-4-6-20-35-29-30-26-13-12-25(21-27(26)36-29)33(28(34)5-2)23(3)22-32-18-16-31(17-19-32)15-14-24-10-8-7-9-11-24;2*3-1(4)2(5)6/h7-13,21,23H,4-6,14-20,22H2,1-3H3;2*(H,3,4)(H,5,6)
• InChIKey: VPYQZWUVLHWWFX-UHFFFAOYSA-N

Properties

• Boiling point: 630.3°C at 760 mmHg (Cal.)
• Flash point: 335°C (Cal.)