Chemical identity

Desloratadine N-Oxide / N-Oxide Derivative of Desloratidine

CAS 169253-26-3 · C19H19ClN2O

01Identity

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

Lazychem IDLC-12416
PubChem CID18715187
NameDesloratadine N-Oxide / N-Oxide Derivative of Desloratidine
CAS RN169253-26-3
Molecular formulaC19H19ClN2O
Molecular weight326.82 g/mol
IUPAC name8-chloro-11-(piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine 1-oxide
InChIKeyZTRQZDOHUHWANO-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 18715187
Two-dimensional chemical structure of Desloratadine N-Oxide / N-Oxide Derivative of Desloratidine, CAS 169253-26-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count4
Secondary amines1
Tertiary amines0
N-methyl amine sites0
SMILESC1CC2=C(C=CC(=C2)Cl)C(=C3CCNCC3)C4=C1C=CC=[N+]4[O-]
InChINot listed
Formula from structureC19H19ClN2O
Molecular weight from structure326.82 g/mol

03Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site1 candidate
Chemical structure of Desloratadine N-Oxide / N-Oxide Derivative of Desloratidine with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from Desloratadine N-Oxide / N-Oxide Derivative of Desloratidine, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C19H18ClN3O2
Candidate SMILES
O=NN1CCC(=C2c3ccc(Cl)cc3CCc3ccc[n+]([O-])c32)CC1

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

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 169253-26-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 169253-26-3 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

Desloratadine

View API and impurity family

Other names

  • Desloratadine N-Oxide
  • N-Oxide Derivative of Desloratidine
  • Desloratadine Pyridine N-oxide
  • 169253-26-3
  • 13-chloro-4-oxido-2-piperidin-4-ylidene-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
  • Desloratadine Impurity 17
  • Desloratidine-N-Oxide
  • Desloratadine-d1N-Oxide
  • 8-Chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine 1-Oxide
  • SCHEMBL6178674
  • DTXSID60595801
  • UWC81718

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