U6D

(1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline


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Chemical Component Summary

Name(1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline
Identifiers(1~{R},3~{R})-1-[2,6-bis(fluoranyl)-4-[2-[3-(fluoranylmethyl)azetidin-1-yl]ethoxy]phenyl]-2-(2-fluoranyl-2-methyl-propyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
FormulaC28 H33 F4 N3 O
Molecular Weight503.575
TypeNON-POLYMER
Isomeric SMILESC[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C)F)c4c(cc(cc4F)OCCN5CC(C5)CF)F
InChIInChI=1S/C28H33F4N3O/c1-17-10-21-20-6-4-5-7-24(20)33-26(21)27(35(17)16-28(2,3)32)25-22(30)11-19(12-23(25)31)36-9-8-34-14-18(13-29)15-34/h4-7,11-12,17-18,27,33H,8-10,13-16H2,1-3H3/t17-,27-/m1/s1
InChIKeyYENNSFZGAPUOQB-XGCWNURASA-N

Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count2
Bond Count73
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 121410578