Chemical identity

(R)-De(trifluoromethyl) Fluoxetine Hydrochloride

CAS 1212215-97-8 · C16H20ClNO

01Identity

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

Lazychem IDLC-00655
PubChem CID45006115
Name(R)-De(trifluoromethyl) Fluoxetine Hydrochloride
CAS RN1212215-97-8
Molecular formulaC16H20ClNO
Molecular weight277.79 g/mol
IUPAC name(γR)-N-Methyl-γ-phenoxybenzenepropanamine Hydrochloride (1:1)
InChIKeyYKLKKVGMPUCUOE-PKLMIRHRSA-N

02Structure identifiers

2D structurePubChem CID 45006115
Two-dimensional chemical structure of (R)-De(trifluoromethyl) Fluoxetine Hydrochloride, CAS 1212215-97-8
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 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count2
Secondary amines1
Tertiary amines0
N-methyl amine sites0
SMILESCNCC[C@H](C1=CC=CC=C1)OC2=CC=CC=C2.Cl
InChINot listed
Formula from structureC16H20ClNO
Molecular weight from structure277.79 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

2 records

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.

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.

04Possible 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 (R)-De(trifluoromethyl) Fluoxetine Hydrochloride 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 (R)-De(trifluoromethyl) Fluoxetine Hydrochloride, 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
C16H19ClN2O2
Candidate SMILES
CN(CC[C@@H](Oc1ccccc1)c1ccccc1)N=O.Cl

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.

05India 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 1212215-97-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1212215-97-8 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.

06Names and relationships

Associated parent compound

Fluoxetine

View API and impurity family

Other names

  • 1212215-97-8
  • (R)-De(trifluoromethyl) Fluoxetine Hydrochloride
  • (3R)-N-methyl-3-phenoxy-3-phenylpropan-1-amine
  • hydrochloride
  • (R)-N-Methyl-3-phenoxy-3-phenylpropan-1-amine Hydrochloride
  • (?R)-N-Methyl-?-phenoxybenzenepropanamine Hydrochloride (1:1)
  • Benzenepropanamine, N-methyl-?-phenoxy-, hydrochloride (1:1), (?R)-
  • (3R)-N-Methyl-3-phenoxy-3-phenylpropan-1-amine Hydrochloride
  • UFH339C7PD
  • Pharmakon1600-01505385
  • Atomoxetine Desmethyl R-Isomer HCl
  • NSC759104

Related records from the same parent family

07Documented 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.

08Sources