3-({(3S)-1-[2-(3,4-Dimethoxyphenyl)Ethyl]-3-Piperidinyl}Methyl)-7,8-Dimethoxy-1,3,4,5-Tetrahydro-2H-3-Benzazepin-2-One Hydrochloride (1:1)
[CAS# 186097-54-1]

Identification

• Name: 3-({(3S)-1-[2-(3,4-Dimethoxyphenyl)Ethyl]-3-Piperidinyl}Methyl)-7,8-Dimethoxy-1,3,4,5-Tetrahydro-2H-3-Benzazepin-2-One Hydrochloride (1:1)
• Synonyms: DK-AH 269; D6942_SIGMA
• Molecular Formula: C₂₈H₃₉ClN₂O₅
• Molecular Weight: 519.07
• CAS Registry Number: 186097-54-1
• SMILES: Cl.O=C2N(CCc1cc(OC)c(OC)cc1C2)C[C@H]4CCCN(CCc3ccc(OC)c(OC)c3)C4
• InChI: 1S/C28H38N2O5.ClH/c1-32-24-8-7-20(14-25(24)33-2)9-12-29-11-5-6-21(18-29)19-30-13-10-22-15-26(34-3)27(35-4)16-23(22)17-28(30)31;/h7-8,14-16,21H,5-6,9-13,17-19H2,1-4H3;1H/t21-;/m0./s1
• InChIKey: MTAKUIYCCYKGJJ-BOXHHOBZSA-N

Properties

• Boiling point: 655.7°C at 760 mmHg (Cal.)
• Flash point: 350.4°C (Cal.)
• Refractive index: (Cal.)