(2R-cis)-3-Acetoxy-5-[2-(Dimethylamino)Ethyl]-2,3-Dihydro-2-(4-Methoxyphenyl)-1,5-Benzothiazepin-4(5H)-One Monohydrochloride
[CAS# 42399-54-2]

Identification

• Name: (2R-cis)-3-Acetoxy-5-[2-(Dimethylamino)Ethyl]-2,3-Dihydro-2-(4-Methoxyphenyl)-1,5-Benzothiazepin-4(5H)-One Monohydrochloride
• Synonyms: Acetic Acid [(2R,3R)-5-(2-Dimethylaminoethyl)-2-(4-Methoxyphenyl)-4-Oxo-2,3-Dihydro-1,5-Benzothiazepin-3-Yl] Ester Hydrochloride; Acetic Acid [(2R,3R)-5-(2-Dimethylaminoethyl)-4-Keto-2-(4-Methoxyphenyl)-2,3-Dihydro-1,5-Benzothiazepin-3-Yl] Ester Hydrochloride; [(2R,3R)-5-(2-Dimethylaminoethyl)-2-(4-Methoxyphenyl)-4-Oxo-2,3-Dihydro-1,5-Benzothiazepin-3-Yl] Ethanoate Hydrochloride
• Molecular Formula: C₂₂H₂₇ClN₂O₄S
• Molecular Weight: 450.98
• CAS Registry Number: 42399-54-2 (31953-18-1)
• EINECS: 255-802-5
• SMILES: [C@@H]2(SC1=CC=CC=C1N(C(=O)[C@H]2OC(=O)C)CCN(C)C)C3=CC=C(OC)C=C3.[H+].[Cl-]
• InChI: 1S/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H/t20-,21+;/m0./s1
• InChIKey: HDRXZJPWHTXQRI-JUDYQFGCSA-N

Properties

• Boiling point: 594.4°C at 760 mmHg (Cal.)
• Flash point: 313.3°C (Cal.)