Chemical identity

(4S)-4-Hydroxyphenylmethoxy-2-methoxy Empagliflozin

CAS 2253771-11-6 · C21H25ClO8

01Identity

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

Lazychem IDLC-13971
PubChem CID142489972
Name(4S)-4-Hydroxyphenylmethoxy-2-methoxy Empagliflozin
CAS RN2253771-11-6
Molecular formulaC21H25ClO8
Molecular weight440.87 g/mol
IUPAC name(2S,3R,4S,5S,6R)-2-(4-chloro-3-((4-hydroxyphenyl)(methoxy)methyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol
InChIKeyXCXMIDPQEGVACY-GATVDHSRSA-N

02Structure identifiers

2D structurePubChem CID 142489972
Two-dimensional chemical structure of (4S)-4-Hydroxyphenylmethoxy-2-methoxy Empagliflozin, CAS 2253771-11-6
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 stereocentres1
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCOC(C1=CC=C(C=C1)O)C2=C(C=CC(=C2)[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC)Cl
InChINot listed
Formula from structureC21H25ClO8
Molecular weight from structure440.87 g/mol

03Stereochemistry

The published structure contains 5 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 64Before 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 2253771-11-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2253771-11-6 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

  • Empagliflozin Impurity 51 (Mixture of Diastereomers)
  • (4S)-4-Hydroxyphenylmethoxy-2-methoxy Empagliflozin
  • 2253771-11-6
  • (2S,3R,4S,5S,6R)-2-(4-chloro-3-((4-hydroxyphenyl)(methoxy)methyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol
  • SCHEMBL21922338
  • a-D-Glucopyranoside, methyl 1-C-[4-chloro-3-[(4-hydroxyphenyl)methoxymethyl]phenyl]- (ACI)
  • Methyl 1-C-[4-chloro-3-[(4-hydroxyphenyl)methoxymethyl]phenyl]-a-D-glucopyranoside (ACI)

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