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Molecule record

4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid

C32H30F5N3O5

631.60 g/mol

Loading structure

Molecular properties

Formula
C32H30F5N3O5
Molar mass
631.60 g·mol−1
Exact mass
631.2106 Da
17
PubChem CID
11250647

Functional groups

Alkane / alkyl carbon
Alkyl halide
Aromatic ring
Aryl halide
Carboxylic acid
Ether
Secondary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • (R)-Elagolix
  • (R)-ElagolixNBI-56418
  • 5B2546MB5Z
  • 834153-87-6
  • 834153-87-6 (free acid)
  • ABT-620
  • DTXCID40154839
  • DTXSID40232348
Show all 24 synonyms
  • ELAGOLIX [INN]
  • ELAGOLIX [MI]
  • ELAGOLIX [WHO-DD]
  • Elagolix
  • Elagolix (USAN/INN)
  • Elagolix [USAN:INN]
  • Elagolix [USAN]
  • GTPL8362
  • H01CC03
  • NBI-56418
  • NBI56418
  • Orilissa
  • RefChem:58959
  • UNII-5B2546MB5Z
  • elagolixum
  • orb1217613

Structure identifiers

Canonical SMILES
COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F
Isomeric SMILES
CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)C[C@@H](C3=CC=CC=C3)NCCCC(=O)O)C4=C(C(=CC=C4)OC)F
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
HEAUOKZIVMZVQL-VWLOTQADSA-N
PubChem CID
11250647

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record
4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethy… - Formula, Structure | ChemArche