Chemical identity

Darifenacin N-Oxide

CAS 1391080-40-2 · C28H30N2O3

01Identity

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

Lazychem IDLC-11991
PubChem CID129011996
NameDarifenacin N-Oxide
CAS RN1391080-40-2
Molecular formulaC28H30N2O3
Molecular weight442.55
IUPAC name(3S)-3-(2-amino-2-oxo-1,1-diphenylethyl)-1-(2-(2,3-dihydrobenzofuran-5-yl)ethyl)pyrrolidine 1-oxide
InChIKeyNWHZIKCUBJRZEN-GOWJNXQMSA-N

02Structure identifiers

2D structurePubChem CID 129011996
Two-dimensional chemical structure of Darifenacin N-Oxide, CAS 1391080-40-2
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 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres1
Ring count5
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1C[N+](C[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)(CCC4=CC5=C(C=C4)OCC5)[O-]
InChINot listed
Formula from structureC28H30N2O3
Molecular weight from structure442.55

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 1391080-40-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1391080-40-2 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

Darifenacin

View API and impurity family

Other names

  • Darifenacin Impurity C
  • 1391080-40-2
  • DarifenacinN-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