Chemical identity

Empagliflozin Methyl Acetate

CAS 2452301-09-4 · C25H29ClO8

01Identity

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

Lazychem IDLC-13964
PubChem CID91827934
NameEmpagliflozin Methyl Acetate
CAS RN2452301-09-4
Molecular formulaC25H29ClO8
Molecular weight492.95 g/mol
IUPAC name((2R,3S,4R,5R,6S)-6-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl acetate
InChIKeyKGCZRQDTNDGABN-XSOWEEMTSA-N

02Structure identifiers

2D structurePubChem CID 91827934
Two-dimensional chemical structure of Empagliflozin Methyl Acetate, CAS 2452301-09-4
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 6 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres6
Unassigned stereocentres0
Ring count4
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)O[C@H]4CCOC4)O)O)O
InChINot listed
Formula from structureC25H29ClO8
Molecular weight from structure492.95 g/mol

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before symmetry reduction

Published same-connectivity configurations

2 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 2452301-09-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2452301-09-4 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

  • Empagliflozin Impurity 17/ Empagliflozin Methyl Acetate / Empagliflozin Impurity E
  • Empagliflozin Impurity 17
  • Empagliflozin Methyl Acetate
  • Empagliflozin acetate
  • 2452301-09-4
  • K43Z46NSR6
  • RefChem:1084084
  • Monoacetyl empagliflozin
  • ((2R,3S,4R,5R,6S)-6-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl acetate
  • UNII-K43Z46NSR6
  • EMpagliflozin iMpurity 3
  • SCHEMBL19303747

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