CM3

(2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL


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Chemical Component Summary

Name(2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL
Identifiers(2R,3R,4S)-5-fluoro-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]chroman-6-ol
FormulaC29 H32 F N O4
Molecular Weight477.567
TypeNON-POLYMER
Isomeric SMILESC[C@@H]1c2c(ccc(c2F)O)O[C@H]([C@H]1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCCC5
InChIInChI=1S/C29H32FNO4/c1-19-26(20-5-9-22(32)10-6-20)29(35-25-14-13-24(33)28(30)27(19)25)21-7-11-23(12-8-21)34-18-17-31-15-3-2-4-16-31/h5-14,19,26,29,32-33H,2-4,15-18H2,1H3/t19-,26+,29-/m0/s1
InChIKeyKOYRLVBQHJNLQX-IFVHXUSFSA-N

Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count3
Bond Count71
Aromatic Bond Count18

Related Resource References

Resource NameReference
Pharos CHEMBL180146
PubChem 4369569
ChEMBL CHEMBL180146