Chemical identity

Propofol O-Glucuronide

CAS 114991-26-3 · C18H26O7

01Identity

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

Lazychem IDLC-26190
PubChem CID71751823
NamePropofol O-Glucuronide
CAS RN114991-26-3
Molecular formulaC18H26O7
Molecular weight354.40 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-(2,6-diisopropylphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
InChIKeyJZSJIASBMOIIKI-RUKPJNHUSA-N

02Structure identifiers

2D structurePubChem CID 71751823
Two-dimensional chemical structure of Propofol O-Glucuronide, CAS 114991-26-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres5
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)C1=C(C(=CC=C1)C(C)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChINot listed
Formula from structureC18H26O7
Molecular weight from structure354.40 g/mol

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully 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 114991-26-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 114991-26-3 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

Propofol

View API and impurity family

Other names

  • Propofol
  • Propofol glucuronide
  • 114991-26-3
  • UNII-79NPJ6GX2W
  • 79NPJ6GX2W
  • beta-D-Glucopyranosiduronic acid, 2,6-bis(1-methylethyl)phenyl
  • RefChem:202743
  • Propofol beta-D-Glucuronide
  • A-D-Glucuronide
  • (2S,3S,4S,5R,6S)-6-[2,6-di(propan-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • (2S,3S,4S,5R,6S)-6-(2,6-diisopropylphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
  • Propofol ?-D-Glucuronide

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