[5-(2-Dimethylaminoethyl)-8-Methyl-2-(4-Methylphenyl)-4-Oxo-2,3-Dihydro-1,5-Benzothiazepin-3-Yl] Acetate
[CAS# 122024-96-8]

Identification

• Name: [5-(2-Dimethylaminoethyl)-8-Methyl-2-(4-Methylphenyl)-4-Oxo-2,3-Dihydro-1,5-Benzothiazepin-3-Yl] Acetate
• Synonyms: Acetic Acid [5-(2-Dimethylaminoethyl)-8-Methyl-2-(4-Methylphenyl)-4-Oxo-2,3-Dihydro-1,5-Benzothiazepin-3-Yl] Ester; Acetic Acid [5-(2-Dimethylaminoethyl)-4-Keto-8-Methyl-2-(4-Methylphenyl)-2,3-Dihydro-1,5-Benzothiazepin-3-Yl] Ester; [5-(2-Dimethylaminoethyl)-8-Methyl-2-(4-Methylphenyl)-4-Oxo-2,3-Dihydro-1,5-Benzothiazepin-3-Yl] Ethanoate
• Molecular Formula: C₂₃H₂₈N₂O₃S
• Molecular Weight: 412.55
• CAS Registry Number: 122024-96-8
• SMILES: C1=CC(=CC2=C1N(C(=O)C(OC(=O)C)C(S2)C3=CC=C(C=C3)C)CCN(C)C)C
• InChI: 1S/C23H28N2O3S/c1-15-6-9-18(10-7-15)22-21(28-17(3)26)23(27)25(13-12-24(4)5)19-11-8-16(2)14-20(19)29-22/h6-11,14,21-22H,12-13H2,1-5H3
• InChIKey: FVGKAJGOHWOXLU-UHFFFAOYSA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Boiling point: 601.363°C at 760 mmHg (Cal.)
• Flash point: 317.493°C (Cal.)