Chemical identity

5-O-Desmethyl Donepezil Glucuronide (Mixture of Diastereomers)

CAS 220170-74-1 · C29H35NO9

01Identity

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

Lazychem IDLC-03547
PubChem CID91668169
Name5-O-Desmethyl Donepezil Glucuronide (Mixture of Diastereomers)
CAS RN220170-74-1
Molecular formulaC29H35NO9
Molecular weight541.60 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-((2-((1-benzylpiperidin-4-yl)methyl)-6-methoxy-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
InChIKeyUBLKQFQMHFDJGO-XDBQMMMZSA-N

02Structure identifiers

2D structurePubChem CID 91668169
Two-dimensional chemical structure of 5-O-Desmethyl Donepezil Glucuronide (Mixture of Diastereomers), CAS 220170-74-1
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 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres5
Unassigned stereocentres1
Ring count5
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESCOC1=C(C=C2CC(C(=O)C2=C1)CC3CCN(CC3)CC4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
InChINot listed
Formula from structureC29H35NO9
Molecular weight from structure541.60 g/mol

03Stereochemistry

The published structure contains 5 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 64Before 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 220170-74-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 220170-74-1 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

Donepezil

View API and impurity family

Other names

  • 5-o-Desmethyldonepezil glucuronide
  • 220170-74-1
  • 97R9M0LYM7
  • Donepezil (metabolite 12 glucuronide)
  • UNII-97R9M0LYM7
  • 5-o-Desmethyl donepezil beta-D-glucuronide
  • (2S,3S,4S,5R,6S)-6-[[2-[(1-benzylpiperidin-4-yl)methyl]-6-methoxy-1-oxo-2,3-dihydroinden-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • beta-D-Glucopyranosiduronic acid, 2,3-dihydro-6-methoxy-1-oxo-2-((1-(phenylmethyl)-4-piperidinyl)methyl)-1H-inden-5-yl
  • Q27272031
  • (2S,3S,4S,5R,6S)-6-((2-((1-Benzylpiperidin-4-yl)methyl)-6-methoxy-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

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