Chemical identity

Canagliflozin 1-Epimer/ Canagliflozin alpha-Anomer

CAS 1589590-87-3 · C24H25FO5S

01Identity

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

Lazychem IDLC-09224
PubChem CID78358406
NameCanagliflozin 1-Epimer/ Canagliflozin alpha-Anomer
CAS RN1589590-87-3
Molecular formulaC24H25FO5S
Molecular weight444.52 g/mol
IUPAC name(1R)-1,5-Anhydro-1-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-D-glucitol
InChIKeyXTNGUQKDFGDXSJ-PFKOEMKTSA-N

02Structure identifiers

2D structurePubChem CID 78358406
Two-dimensional chemical structure of Canagliflozin 1-Epimer/ Canagliflozin alpha-Anomer, CAS 1589590-87-3
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 5 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres5
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=C(C=C(C=C1)[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC3=CC=C(S3)C4=CC=C(C=C4)F
InChINot listed
Formula from structureC24H25FO5S
Molecular weight from structure444.52 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

5 records

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.

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 1589590-87-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1589590-87-3 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

Canagliflozin

View API and impurity family

Other names

  • Canagliflozin
  • Canagliflozin 1-Epimer
  • Canagliflozin alpha-Anomer
  • Canagliflozin I+-
  • 1589590-87-3
  • 74SH49JX4H
  • RefChem:1080750
  • (2R,3R,4R,5S,6R)-2-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
  • Canagliflozin alpha Isomer
  • (2R,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
  • epi-Canagliflozin
  • A Isomer

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