Desacetyldilthiazem Hydrochloride
[CAS# 40601-99-8]

Identification

• Name: Desacetyldilthiazem Hydrochloride
• Synonyms: 1,5-Benzothiazepin-4(5H)-One, 2,3-Dihydro-5-(2-(Dimethylamino)Ethyl)-3-Hydroxy-2-(P-Methoxyphenyl)-, Monohydrochloride, (Z)-
• Molecular Formula: C₂₀H₂₅ClN₂O₃S
• Molecular Weight: 408.94
• CAS Registry Number: 40601-99-8
• SMILES: [C@@H]2(SC1=CC=CC=C1N(CCN(C)C)C(=O)[C@H]2O)C3=CC=C(OC)C=C3.[H+].[Cl-]
• InChI: 1S/C20H24N2O3S.ClH/c1-21(2)12-13-22-16-6-4-5-7-17(16)26-19(18(23)20(22)24)14-8-10-15(25-3)11-9-14;/h4-11,18-19,23H,12-13H2,1-3H3;1H/t18-,19+;/m0./s1
• InChIKey: XNQWAVFYFJXSHD-GRTNUQQKSA-N

Properties

• Boiling point: 596.8°C at 760 mmHg (Cal.)
• Flash point: 314.8°C (Cal.)