Chemical identity

Mirtazapine EP Impurity F / Mirtazapine Related Compound D / Mirtazapine 10-Keto Impurity

CAS 191546-97-1 · C17H17N3O

01Identity

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

Lazychem IDLC-20448
PubChem CID15541753
NameMirtazapine EP Impurity F / Mirtazapine Related Compound D / Mirtazapine 10-Keto Impurity
CAS RN191546-97-1
Molecular formulaC17H17N3O
Molecular weight279.34 g/mol
IUPAC name2-Methyl-1,2,3,4-tetrahydrobenzo[c]pyrazino[1,2-a]pyrido[3,2-f]azepin-10(14bH)-one
InChIKeyRZDFSDWHGNDESU-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 15541753
Two-dimensional chemical structure of Mirtazapine EP Impurity F / Mirtazapine Related Compound D / Mirtazapine 10-Keto Impurity, CAS 191546-97-1
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. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count4
Secondary amines0
Tertiary amines2
N-methyl amine sites1
SMILESCN1CCN2C(C1)C3=CC=CC=C3C(=O)C4=C2N=CC=C4
InChINot listed
Formula from structureC17H17N3O
Molecular weight from structure279.34 g/mol

03Stereochemistry

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

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact 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.

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 Mirtazapine EP Impurity F / Mirtazapine Related Compound D / Mirtazapine 10-Keto Impurity 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 Mirtazapine EP Impurity F / Mirtazapine Related Compound D / Mirtazapine 10-Keto Impurity, 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
C16H14N4O2
Candidate SMILES
O=NN1CCN2c3ncccc3C(=O)c3ccccc3C2C1

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 191546-97-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 191546-97-1 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

Mirtazapine

View API and impurity family

Other names

  • Mirtazapine EP Impurity F
  • Mirtazapine Related Compound D
  • Mirtazapine 10-Keto Impurity
  • 10-Ketomirtazapine
  • T6BQ3WH3L4
  • 1,3,4,14b-Tetrahydro-2-methylpyrazino(2,1-a)pyrido(2,3-C)(2)benzazepin-10(2H)-one
  • MIRTAZAPINE IMPURITY F [EP IMPURITY]
  • RefChem:437040
  • 191546-97-1
  • 10-Oxo Mirtazapine (Mirtazapine Impurity F)
  • 10-Oxo mirtazapine
  • UNII-T6BQ3WH3L4

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