Chemical identity

Cinacalcet N-Oxide

CAS 1229224-94-5 · C22H22F3NO

01Identity

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

Lazychem IDLC-10747
PubChem CID78358349
NameCinacalcet N-Oxide
CAS RN1229224-94-5
Molecular formulaC22H22F3NO
Molecular weight373.41 g/mol
IUPAC name(R)-N-(1-(Naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl) phenyl)propan-1-amine N-oxide
InChIKeyNNDFTKSSGCGZLY-MRXNPFEDSA-N

02Structure identifiers

2D structurePubChem CID 78358349
Two-dimensional chemical structure of Cinacalcet N-Oxide, CAS 1229224-94-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESC[C@H](C1=CC=CC2=CC=CC=C21)N(CCCC3=CC(=CC=C3)C(F)(F)F)O
InChINot listed
Formula from structureC22H22F3NO
Molecular weight from structure373.41 g/mol

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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 1229224-94-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1229224-94-5 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

Cinacalcet

View API and impurity family

Other names

  • Cinacalcet N Oxide Impurity
  • Cinacalcet N-Oxide
  • 1229224-94-5
  • (R)-N-(1-(Naphthalen-1-yl)ethyl)-N-(3-(3-(trifluoromethyl)phenyl)propyl)hydroxylamine
  • N-[(1R)-1-(NAPHTHALEN-1-YL)ETHYL]-N-{3-[3-(TRIFLUOROMETHYL)PHENYL]PROPYL}HYDROXYLAMINE
  • MFCD25977375
  • (alphaR)-alpha-Methyl-N-[3-[3-(trifluoroMethyl)phenyl)propyl]-1-napthaleneMethanaMine-N-oxide
  • C22H22F3NO
  • orb3181377
  • SCHEMBL7912988
  • DTXSID401124033
  • CS-M2276

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