Chemical identity

Mycophenolic Acid Phenyl Glucuronide

CAS 31528-44-6 · C23H28O12

01Identity

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

Lazychem IDLC-20772
PubChem CID6442661
NameMycophenolic Acid Phenyl Glucuronide
CAS RN31528-44-6
Molecular formulaC23H28O12
Molecular weight496.47 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-((5-((E)-5-carboxy-3-methylpent-2-en-1-yl)-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-4-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
InChIKeyBYFGTSAYQQIUCN-HGIHDBQLSA-N

02Structure identifiers

2D structurePubChem CID 6442661
Two-dimensional chemical structure of Mycophenolic Acid Phenyl Glucuronide, CAS 31528-44-6
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 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 count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChINot listed
Formula from structureC23H28O12
Molecular weight from structure496.47 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 31528-44-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 31528-44-6 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

Mycophenolic Acid

View associated product family

Other names

  • Mycophenolic acid-
  • Mycophenolic acid glucuronide
  • 31528-44-6
  • Mycophenolic acid glucosiduronate
  • Mycophenolic acid 7-O-glucuronide
  • 54TS5J9T0K
  • DTXSID401043388
  • MPAG cpd
  • RefChem:160314
  • DTXCID501525961
  • beta-D-glucopyranosiduronic acid, 5-((2E)-5-carboxy-3-methyl-2-penten-1-yl)-1,3-dihydro-6-methoxy-7-methyl-3-oxo-4-isobenzofuranyl
  • Mycophenolic Acid beta-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