2-(4-Hydroxyphenyl)-3-{4-[2-(1-piperidinyl)ethoxy]benzoyl}-1-benzothiophen-6-yl (5xi)-beta-D-lyxo-hexopyranosiduronic acid
[CAS# 174264-50-7]

Identification

• Name: 2-(4-Hydroxyphenyl)-3-{4-[2-(1-piperidinyl)ethoxy]benzoyl}-1-benzothiophen-6-yl (5xi)-beta-D-lyxo-hexopyranosiduronic acid
• Synonyms: Raloxifene 6-Glucuronide
• Molecular Formula: C₃₄H₃₅NO₁₀S
• Molecular Weight: 649.71
• CAS Registry Number: 174264-50-7
• SMILES: c1cc(ccc1c2c(c3ccc(cc3s2)O[C@H]4[C@H]([C@H]([C@@H](C(O4)C(=O)O)O)O)O)C(=O)c5ccc(cc5)OCCN6CCCCC6)O
• InChI: 1S/C34H35NO10S/c36-21-8-4-20(5-9-21)32-26(27(37)19-6-10-22(11-7-19)43-17-16-35-14-2-1-3-15-35)24-13-12-23(18-25(24)46-32)44-34-30(40)28(38)29(39)31(45-34)33(41)42/h4-13,18,28-31,34,36,38-40H,1-3,14-17H2,(H,41,42)/t28-,29-,30-,31?,34+/m0/s1
• InChIKey: MZPMSLSINDGEPM-VVQGUYCYSA-N

Properties

• Density: 1.445g/cm³ (Cal.)
• Boiling point: 939.604°C at 760 mmHg (Cal.)
• Flash point: 522.054°C (Cal.)
• Refractive index: 1.682 (Cal.)