Deacetyl-N-Monodemethyldiltiazem
[CAS# 40861-80-1]

Identification

• Name: Deacetyl-N-Monodemethyldiltiazem
• Synonyms: 1,5-Benzothiazepin-4(5H)-One, 2,3-Dihydro-3-Hydroxy-2-(P-Methoxyphenyl)-5-(2-(Methylamino)Ethyl)-, Monohydrochloride
• Molecular Formula: C₁₉H₂₃ClN₂O₃S
• Molecular Weight: 394.92
• CAS Registry Number: 40861-80-1
• SMILES: [H+].C2=C1N(C(=O)C(O)C(SC1=CC=C2)C3=CC=C(OC)C=C3)CCNC.[Cl-]
• InChI: 1S/C19H22N2O3S.ClH/c1-20-11-12-21-15-5-3-4-6-16(15)25-18(17(22)19(21)23)13-7-9-14(24-2)10-8-13;/h3-10,17-18,20,22H,11-12H2,1-2H3;1H
• InChIKey: WRRTVAXYYSGAOT-UHFFFAOYSA-N

Properties

• Boiling point: 612°C at 760 mmHg (Cal.)
• Flash point: 323.9°C (Cal.)