ChemArche
Sign inAccount

Molecule record

(5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one

C25H26F6N2O2

500.48 g/mol

Loading structure

Molecular properties

Formula
C25H26F6N2O2
Molar mass
500.48 g·mol−1
Exact mass
500.1898 Da
11
PubChem CID
10311306

Functional groups

Alkane / alkyl carbon
Alkyl halide
Amide
Aromatic ring
Ether
Secondary amine

Physical properties

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

Common names and synonyms

  • (5S,8S)-8-(((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,7-diazaspiro(4.5)decan-2-one
  • (5S,8S)-8-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,7-diazaspiro[4.5]decan-2-one
  • 1,7-DIAZASPIRO(4.5)DECAN-2-ONE, 8-(((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)METHYL)-8-PHENYL-, (5S,8S)-
  • 552292-08-7
  • 8-((1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,7-diazaspiro(4,5)decan-2-one
  • A04AD14
  • CHEBI:90908
  • DTXCID20126231
Show all 24 synonyms
  • DTXSID90203740
  • MFCD23105917
  • MS-29288
  • NLE429IZUC
  • ROLAPITANT [USAN]
  • RefChem:57237
  • Rolapitant
  • Rolapitant [INN]
  • Rolapitant [USAN:INN]
  • Rolapitant free base
  • Sch 619734
  • UNII-NLE429IZUC
  • Varubi
  • Varubi (TN)
  • Varuby
  • rolapitantum

Structure identifiers

Canonical SMILES
C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
Isomeric SMILES
C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC[C@]2(CC[C@]3(CCC(=O)N3)CN2)C4=CC=CC=C4
InChI
InChI=1S/C25H26F6N2O2/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34)/t16-,22-,23-/m1/s1
InChIKey
FIVSJYGQAIEMOC-ZGNKEGEESA-N
PubChem CID
10311306

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 (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one; 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