3-(Acetyloxy)-2,3-Dihydro-2-(4-Methoxyphenyl)-5-(2-(Dimethylamino)Ethyl)Naphtho(1,2-b)1,4-Thiazepin-4(5H)-One
[CAS# 108383-95-5]

Identification

• Name: 3-(Acetyloxy)-2,3-Dihydro-2-(4-Methoxyphenyl)-5-(2-(Dimethylamino)Ethyl)Naphtho(1,2-b)1,4-Thiazepin-4(5H)-One
• Synonyms: Naltiazem; Naphtho(1,2-B)(1,4)Thiazepin-4(5H)-One, 3-(Acetyloxy)-5-(2-(Dimethylamino)Ethyl)-2,3-Dihydro-2-(4-Methoxyphenyl)-, Cis-(+)-
• Molecular Formula: C₂₆H₂₈N₂O₄S
• Molecular Weight: 464.58
• CAS Registry Number: 108383-95-5
• SMILES: [C@H]2(SC1=C3C(=CC=C1N(C(=O)[C@@H]2OC(=O)C)CCN(C)C)C=CC=C3)C4=CC=C(OC)C=C4
• InChI: 1S/C26H28N2O4S/c1-17(29)32-23-24(19-9-12-20(31-4)13-10-19)33-25-21-8-6-5-7-18(21)11-14-22(25)28(26(23)30)16-15-27(2)3/h5-14,23-24H,15-16H2,1-4H3/t23-,24+/m1/s1
• InChIKey: GWVJLVHNKMLXRM-RPWUZVMVSA-N

Properties

• Density: 1.289g/cm³ (Cal.)
• Boiling point: 663.896°C at 760 mmHg (Cal.)
• Flash point: 355.312°C (Cal.)