Chemical identity

Desfluoro Aprepitant

CAS 2410426-96-7 · C14H13F6NO3

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-06628
PubChem CID162568550
NameDesfluoro Aprepitant
CAS RN2410426-96-7
Molecular formulaC14H13F6NO3
Molecular weight357.25 g/mol
IUPAC name(R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)morpholin-3-one
InChIKeyZOXFFXBLIYOIRF-JMCQJSRRSA-N

02Structure identifiers

2D structurePubChem CID 162568550
Two-dimensional chemical structure of Desfluoro Aprepitant, CAS 2410426-96-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2C(=O)NCCO2
InChINot listed
Formula from structureC14H13F6NO3
Molecular weight from structure357.25 g/mol

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 2410426-96-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2410426-96-7 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Aprepitant

View API and impurity family

Other names

  • Aprepitant Impurity 26
  • 5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-phenyl-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
  • 5-(((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-phenylmorpholino)methyl)-1H-1,2,4-triazol-3(2H)-one
  • Desfluoro Aprepitant
  • 5-[[(2R,3S)-2-[(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-phenylmorpholino]methyl]-2H-1,2,4-triazol-3(4H)-one (USP)
  • (R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)morpholin-3-one
  • 2410426-96-7
  • Aprepitant Impurity 72
  • ZOXFFXBLIYOIRF-JMCQJSRRSA-N
  • OCID190078732197

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources