Chemical identity

Atomoxetine EP Impurity C / Atomoxetine Related Compound C / p-Methyl Atomoxetine HCl

CAS 873310-31-7 · C17H22ClNO

01Identity

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

Lazychem IDLC-06947
PubChem CID11644995
NameAtomoxetine EP Impurity C / Atomoxetine Related Compound C / p-Methyl Atomoxetine HCl
CAS RN873310-31-7
Molecular formulaC17H22ClNO
Molecular weight291.82 g/mol
IUPAC name(3R)-N-Methyl-3-(4-methylphenoxy)-3-phenylpropan-1-amine hydrochloride
InChIKeyJVGQLTAODNXGTO-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 11644995
2D structure: Atomoxetine EP Impurity C / Atomoxetine Related Compound C / p-Methyl Atomoxetine HCl, CAS 873310-31-7
Structure of Atomoxetine EP Impurity C / Atomoxetine Related Compound C / p-Methyl Atomoxetine HCl (CAS 873310-31-7). LazyChem record. Source identity: PubChem CID 11644995. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC17H22ClNO
InChIKeyJVGQLTAODNXGTO-UHFFFAOYSA-N
Ring count2
Defined stereocentres0
Unassigned stereocentres1
SMILESCC1=CC=C(C=C1)OC(CCNC)C2=CC=CC=C2.Cl
InChIInChI=1S/C17H21NO.ClH/c1-14-8-10-16(11-9-14)19-17(12-13-18-2)15-6-4-3-5-7-15;/h3-11,17-18H,12-13H2,1-2H3;1H

03Stereochemistry

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

Defined stereocentres02D structure
Unassigned stereocentres12D structure
Assignment statusUnassignedExact 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

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to Atomoxetine EP Impurity C / Atomoxetine Related Compound C / p-Methyl Atomoxetine HCl, CAS 873310-31-7
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 873310-31-7 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 873310-31-7 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Atomoxetine

View API and impurity family

Other names

  • Atomoxetine EP Impurity C (HCl)
  • Atomoxetine Related Compound C/ p-Methyl Atomoxetine
  • p-Methyl Atomoxetine Hydrochloride
  • ATOMOXETINE RELATED COMPOUND C HCL
  • rac-Atomoxetine EP Impurity C HCl
  • Atomoxetine USP Related Compound C Hcl
  • DB-361409
  • G87464
  • N-methyl-3-phenyl-3-(p-tolyloxy)propan-1-amine hydrochloride
  • Benzenepropanamine, N-methyl-?-(4-methylphenoxy)-, hydrochloride (1:1)

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