Chemical identity

Naloxone N-Oxide

CAS 112242-14-5 · C19H21NO5

01Identity

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

Lazychem IDLC-23063
PubChem CID14099368
NameNaloxone N-Oxide
CAS RN112242-14-5
Molecular formulaC19H21NO5
Molecular weight343.37 g/mol
IUPAC name(5a)-4,5-Epoxy-3,14-dihydroxy-17-(2-propenyl)morphinan-6-one 17-Oxide
InChIKeyGAUIBVINJLVYRY-QBFPIVRFSA-N

02Structure identifiers

2D structurePubChem CID 14099368
Two-dimensional chemical structure of Naloxone N-Oxide, CAS 112242-14-5
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 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Unassigned stereocentres1
Ring count5
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC=CC[N+]1(CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)[O-]
InChINot listed
Formula from structureC19H21NO5
Molecular weight from structure343.37 g/mol

03Stereochemistry

The published structure contains 4 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 32Before 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 112242-14-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 112242-14-5 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

Naloxone

View associated product family

Other names

  • Naloxone N-Oxide
  • 112242-14-5
  • (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-oxido-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one
  • Naloxone N-Oxide (100?g/ml in Acetonitrile)
  • Naloxone N-Oxide (100?g/ml in 1:1 Acetonitrile and water solution)
  • (5alpha)-4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-morphinan-6-one 17-oxide
  • (5a)-4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-morphinan-6-one 17-oxide
  • SCHEMBL30053299
  • DTXSID601350145
  • Naloxone N-Oxide, 1mg/ml in Acetonitrile/Water : 1/1
  • (4R,4aS,7aR,12bS)-3-allyl-4a,9-dihydroxy-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline 3-oxide

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