Chemical identity

Paroxetine HCl EP Impurity C/ Paroxetine HCl BP Impurity C/ N-Benzyl Paroxetine (free base)

CAS 105813-14-7 · C26H26FNO3

01Identity

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

Lazychem IDLC-24736
PubChem CID9953865
NameParoxetine HCl EP Impurity C/ Paroxetine HCl BP Impurity C/ N-Benzyl Paroxetine (free base)
CAS RN105813-14-7
Molecular formulaC26H26FNO3
Molecular weight419.49 g/mol
IUPAC name(3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-1-benzyl-4-(4-fluorophenyl)piperidine
InChIKeyAGTKMLMRHVWXHN-URXFXBBRSA-N

02Structure identifiers

2D structurePubChem CID 9953865
Two-dimensional chemical structure of Paroxetine HCl EP Impurity C/ Paroxetine HCl BP Impurity C/ N-Benzyl Paroxetine (free base), CAS 105813-14-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 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 count5
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESC1CN(C[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5
InChINot listed
Formula from structureC26H26FNO3
Molecular weight from structure419.49 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 105813-14-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 105813-14-7 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

Paroxetine

View API and impurity family

Other names

  • Paroxetine HCl EP Impurity C (Free Base)
  • Paroxetine HCl BP Impurity C/ N-Benzyl Paroxetine (free base)
  • (3S,4R)-3-[(1,3-Benzodioxol-5-yloxy)methyl]-1-benzyl-4-(4-fluorophenyl)piperidine
  • RefChem:401511
  • 929-011-7
  • 105813-14-7
  • (-)-N-Benzylparoxetine
  • MLV7RU9XDD
  • (3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-1-benzyl-4-(4-fluorophenyl)piperidine
  • Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-1-(phenylmethyl)-, (3S,4R)-
  • Piperidine, 3-((1,3-benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)-1-(phenylmethyl)-, trans-(-)-
  • starbld0017939

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