4-[(1Z)-1-{4-[2-(Dimethylamino)Ethoxy]Phenyl}-2-Phenyl-1-Buten-1-Yl]Phenol
[CAS# 174592-47-3]

Identification

• Name: 4-[(1Z)-1-{4-[2-(Dimethylamino)Ethoxy]Phenyl}-2-Phenyl-1-Buten-1-Yl]Phenol
• Synonyms: Hydroxytamoxifen; (E)-4-Hydroxytamoxifen; (Z)-4-(1-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenol
• Molecular Formula: C₂₆H₂₉NO₂
• Molecular Weight: 387.51
• CAS Registry Number: 174592-47-3
• SMILES: CC/C(=C(\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3
• InChI: 1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
• InChIKey: TXUZVZSFRXZGTL-QPLCGJKRSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 514.4±50.0°C at 760 mmHg (Cal.)
• Flash point: 264.9±30.1°C (Cal.)
• Refractive index: 1.597 (Cal.)
• solubility: Soluble to 50 mM in ethanol

Safety Data

• Safety Description: IRRITANT

References

• (1): Dennis et al.. In vivo effects of a GPR30 antagonist, Nature Chemical Biology, 2009