N-Monodemethyldiltiazem
[CAS# 85100-17-0]

Identification

• Name: N-Monodemethyldiltiazem
• Synonyms: Acetic Acid [(2S,3S)-2-(4-Methoxyphenyl)-5-(2-Methylaminoethyl)-4-Oxo-2,3-Dihydro-1,5-Benzothiazepin-3-Yl] Ester; Acetic Acid [(2S,3S)-4-Keto-2-(4-Methoxyphenyl)-5-(2-Methylaminoethyl)-2,3-Dihydro-1,5-Benzothiazepin-3-Yl] Ester; [(2S,3S)-2-(4-Methoxyphenyl)-5-(2-Methylaminoethyl)-4-Oxo-2,3-Dihydro-1,5-Benzothiazepin-3-Yl] Ethanoate
• Molecular Formula: C₂₁H₂₄N₂O₄S
• Molecular Weight: 400.49
• CAS Registry Number: 85100-17-0
• SMILES: [C@H]2(SC1=CC=CC=C1N(C(=O)[C@@H]2OC(=O)C)CCNC)C3=CC=C(OC)C=C3
• InChI: 1S/C21H24N2O4S/c1-14(24)27-19-20(15-8-10-16(26-3)11-9-15)28-18-7-5-4-6-17(18)23(21(19)25)13-12-22-2/h4-11,19-20,22H,12-13H2,1-3H3/t19-,20+/m1/s1
• InChIKey: YOMLDISQSWWYOT-UXHICEINSA-N

Properties

• Density: 1.281g/cm³ (Cal.)
• Boiling point: 605.417°C at 760 mmHg (Cal.)
• Flash point: 319.945°C (Cal.)