Chemical identity

Selegiline-N-Oxide

CAS 366462-61-5 · C13H17NO

01Identity

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

Lazychem IDLC-27867
PubChem CID71315563
NameSelegiline-N-Oxide
CAS RN366462-61-5
Molecular formulaC13H17NO
Molecular weight203.28 g/mol
IUPAC nameN-Methyl-N-((R)-1-Phenylpropan-2-yl)-N-(prop-2-yn-1-yl)hydroxylammonium
InChIKeyIVFPCTFUZXEDKP-PUODRLBUSA-N

02Structure identifiers

2D structurePubChem CID 71315563
Two-dimensional chemical structure of Selegiline-N-Oxide, CAS 366462-61-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres1
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@H](CC1=CC=CC=C1)[N+](C)(CC#C)[O-]
InChINot listed
Formula from structureC13H17NO
Molecular weight from structure203.28 g/mol

03Stereochemistry

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

Defined centres1Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially 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 366462-61-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 366462-61-5 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

Selegiline

View API and impurity family

Other names

  • Selegiline-N-Oxide / Selegiline Impurity 1
  • N-Methyl-N-[(2R)-1-phenylpropan-2-yl]prop-2-yn-1-amine N-oxide
  • 366462-61-5
  • 1346616-99-6
  • (2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine oxide
  • DTXSID70747511

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