Elagolix

CAS Registry Number®

834153-87-6
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CAS Name

Elagolix

Molecular Formula

C32H30F5N3O5

Molecular Mass

631.59

Cite this Page

Elagolix.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=834153-87-6 (retrieved 2024-05-29) (CAS RN: 834153-87-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/t25-/m0/s1

InChIKey

InChIKey=HEAUOKZIVMZVQL-VWLOTQADSA-N

SMILES

CC1=C(C(=O)N(C[C@H](NCCCC(O)=O)C2=CC=CC=C2)C(=O)N1CC3=C(C(F)(F)F)C=CC=C3F)C4=C(F)C(OC)=CC=C4

Canonical SMILES

O=C(O)CCCNC(C=1C=CC=CC1)CN2C(=O)C(C=3C=CC=C(OC)C3F)=C(N(C2=O)CC=4C(F)=CC=CC4C(F)(F)F)C

Other Names for this Substance

  • Butanoic acid, 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]-
  • 4-[[(1R)-2-[5-(2-Fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-4-methyl-2,6-dioxo-1(2H)-pyrimidinyl]-1-phenylethyl]amino]butanoic acid
  • NBI 56418
  • Elagolix
  • (R)-4-((2-(5-(2-Fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoromethyl)benzyl)-4-methyl-2,6-dioxo-2,3-dihydropyrimidin-1(6H)-yl)-1-phenylethyl)amino)butanoic acid

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