(2S)-3-(4-Hydroxyphenyl)-4-Methyl-2-[4-[2-(1-Piperidyl)Ethoxy]Phenyl]-2H-Chromen-7-Ol
[CAS# 252555-01-4]

Identification

• Name: (2S)-3-(4-Hydroxyphenyl)-4-Methyl-2-[4-[2-(1-Piperidyl)Ethoxy]Phenyl]-2H-Chromen-7-Ol
• Synonyms: (2S)-3-(4-Hydroxyphenyl)-4-Methyl-2-[4-[2-(1-Piperidyl)Ethoxy]Phenyl]-2H-Chromen-7-Ol Hydrochloride; (2S)-3-(4-Hydroxyphenyl)-4-Methyl-2-[4-(2-Piperidinoethoxy)Phenyl]-2H-Chromen-7-Ol Hydrochloride; Acolbifene Hydrochloride [Usan]
• Molecular Formula: C₂₉H₃₂ClNO₄
• Molecular Weight: 494.03
• CAS Registry Number: 252555-01-4
• SMILES: [C@H]1(OC3=C(C(=C1C2=CC=C(O)C=C2)C)C=CC(=C3)O)C5=CC=C(OCCN4CCCCC4)C=C5.[H+].[Cl-]
• InChI: 1S/C29H31NO4.ClH/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30;/h5-14,19,29,31-32H,2-4,15-18H2,1H3;1H/t29-;/m0./s1
• InChIKey: BYQDPIXWTVEVEA-JMAPEOGHSA-N

Properties

• Boiling point: 651.5°C at 760 mmHg (Cal.)
• Flash point: 347.8°C (Cal.)