Chemical identity

Empagliflozin Methoxy Impurity

CAS 872980-38-6 · C28H31ClO10

01Identity

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

Lazychem IDLC-13993
PubChem CID59747701
NameEmpagliflozin Methoxy Impurity
CAS RN872980-38-6
Molecular formulaC28H31ClO10
Molecular weight563 g/mol
IUPAC name(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-methoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl Triacetate
InChIKeyFCPJIBQVWWLKOP-VFHRMQJUSA-N

02Structure identifiers

2D structurePubChem CID 59747701
Two-dimensional chemical structure of Empagliflozin Methoxy Impurity, CAS 872980-38-6
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, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres5
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C2=CC(=C(C=C2)Cl)CC3=CC=C(C=C3)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChINot listed
Formula from structureC28H31ClO10
Molecular weight from structure563 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 872980-38-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 872980-38-6 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

Empagliflozin

View API and impurity family

Other names

  • (2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-methoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
  • 872980-38-6
  • D-Glucitol,1,5-anhydro-1-C-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]-,tetraacetate, (1S)-
  • [(2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]oxan-2-yl]methyl acetate
  • Empagliflozin Methoxy Impurity
  • Methoxy Empagliflozin Tetraacetate
  • Empagliflozin Impurity N7
  • TNP3PD49AX
  • orb3181214
  • SCHEMBL1713908
  • CS-0011223
  • E80868

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