Chemical identity

Darifenacin Vinyl Impurity (UK-201705)

CAS 1048979-09-4 · C28H30N2O2

01Identity

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

Lazychem IDLC-11996
PubChem CID25002543
NameDarifenacin Vinyl Impurity (UK-201705)
CAS RN1048979-09-4
Molecular formulaC28H30N2O2
Molecular weight426.56 g/mol
IUPAC name(S)-2-(1-(4-hydroxy-3-vinylphenethyl)pyrrolidin-3-yl)-2,2-diphenylacetamide
InChIKeyLWAJEKFSUZCXGN-RUZDIDTESA-N

02Structure identifiers

2D structurePubChem CID 25002543
Two-dimensional chemical structure of Darifenacin Vinyl Impurity (UK-201705), CAS 1048979-09-4
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, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESC=CC1=C(C=CC(=C1)CCN2CC[C@H](C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)N)O
InChINot listed
Formula from structureC28H30N2O2
Molecular weight from structure426.56 g/mol

03Stereochemistry

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

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact 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.

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 1048979-09-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1048979-09-4 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

  • (3S)-1-[2-(3-Ethenyl-4-hydroxyphenyl)ethyl]-a,a-diphenyl-3-pyrrolidineacetamide
  • 1048979-09-4
  • (3S)-1-[2-(3-Ethenyl-4-hydroxyphenyl)ethyl]-alpha,alpha-diphenyl-3-pyrrolidineacetamide
  • SCHEMBL14114514
  • DB-247031
  • (S)-2-(1-(4-Hydroxy-3-vinylphenethyl)pyrrolidin-3-yl)-2,2-diphenylacetamide

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