Clentiazem
[CAS# 96125-53-0]

Identification

• Name: Clentiazem
• Synonyms: Acetic Acid [(2S,3S)-8-Chloro-5-(2-Dimethylaminoethyl)-2-(4-Methoxyphenyl)-4-Oxo-2,3-Dihydro-1,5-Benzothiazepin-3-Yl] Ester; Acetic Acid [(2S,3S)-8-Chloro-5-(2-Dimethylaminoethyl)-4-Keto-2-(4-Methoxyphenyl)-2,3-Dihydro-1,5-Benzothiazepin-3-Yl] Ester; [(2S,3
• Molecular Formula: C₂₂H₂₅ClN₂O₄S
• Molecular Weight: 448.96
• CAS Registry Number: 96125-53-0
• SMILES: [C@H]1(SC2=C(N(C(=O)[C@@H]1OC(=O)C)CCN(C)C)C=CC(=C2)Cl)C3=CC=C(OC)C=C3
• 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/t20-,21+/m1/s1
• InChIKey: GYKFWCDBQAFCLJ-RTWAWAEBSA-N

Properties

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