Acolbifene

Acolbifene

Names
IUPAC name (2S)-3-(4-Hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol
Other names EM-652; Ritetronium
Identifiers
CAS Number	252555-01-4
ChEMBL	ChEMBL68055
ChemSpider	136930
Jmol interactive 3D	Image
PubChem	155435
InChI InChI=1S/C29H31NO4/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/t29-/m0/s1 Key: DUYNJNWVGIWJRI-LJAQVGFWSA-N InChI=1/C29H31NO4/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/t29-/m0/s1 Key: DUYNJNWVGIWJRI-LJAQVGFWBH
SMILES CC1=C([C@@H](OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OCCN4CCCCC4)C5=CC=C(C=C5)O
Properties
Chemical formula	C29H31NO4
Molar mass	457.57 g·mol^−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Acolbifene is a selective estrogen receptor modulator.^[1]

References

1. Gauthier, S; Cloutier, J; Dory, YL; Favre, A; Mailhot, J; Ouellet, C; Schwerdtfeger, A; Mérand, Y; Martel, C; Simard, J; Labrie, F (2005). "Synthesis and structure-activity relationships of analogs of EM-652 (acolbifene), a pure selective estrogen receptor modulator. Study of nitrogen substitution". Journal of enzyme inhibition and medicinal chemistry 20 (2): 165–77. doi:10.1080/14756360500043448. PMID 15968821.