3-(Acetyloxy)-8-Chloro-5-[2-(Dimethylamino)Ethyl]-2,3-Dihydro-2-(4-Methoxyphenyl)-1,5-Benzothiazepin-4(5H)-One
[CAS# 111659-76-8]

Identification

• Name: 3-(Acetyloxy)-8-Chloro-5-[2-(Dimethylamino)Ethyl]-2,3-Dihydro-2-(4-Methoxyphenyl)-1,5-Benzothiazepin-4(5H)-One
• Synonyms: Acetic Acid [8-Chloro-5-(2-Dimethylaminoethyl)-2-(4-Methoxyphenyl)-4-Oxo-2,3-Dihydro-1,5-Benzothiazepin-3-Yl] Ester; Acetic Acid [8-Chloro-5-(2-Dimethylaminoethyl)-4-Keto-2-(4-Methoxyphenyl)-2,3-Dihydro-1,5-Benzothiazepin-3-Yl] Ester; [8-Chloro-5-(2-Dimethylaminoethyl)-2-(4-Methoxyphenyl)-4-Oxo-2,3-Dihydro-1,5-Benzothiazepin-3-Yl] Ethanoate
• Molecular Formula: C₂₂H₂₅ClN₂O₄S
• Molecular Weight: 448.96
• CAS Registry Number: 111659-76-8
• SMILES: C3=C(C1C(C(N(CCN(C)C)C2=C(S1)C=C(Cl)C=C2)=O)OC(C)=O)C=CC(=C3)OC
• InChI: 1S/C22H25ClN2O4S/c1-14(26)29-20-21(15-5-8-17(28-4)9-6-15)30-19-13-16(23)7-10-18(19)25(22(20)27)12-11-24(2)3/h5-10,13,20-21H,11-12H2,1-4H3
• InChIKey: GYKFWCDBQAFCLJ-UHFFFAOYSA-N

Properties

• Density: 1.327g/cm³ (Cal.)
• Boiling point: 626.436°C at 760 mmHg (Cal.)
• Flash point: 332.657°C (Cal.)