Chemical identity

Empagliflozin Hydroxymethylphenyl

CAS 2137418-13-2 · C23H27ClO8

01Identity

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

Lazychem IDLC-13960
PubChem CID137949072
NameEmpagliflozin Hydroxymethylphenyl
CAS RN2137418-13-2
Molecular formulaC23H27ClO8
Molecular weight466.91 g/mol
IUPAC name(2S,3S,4R,5S)-2-(4-Chloro-3-(hydroxy(4-((S)-tetrahydrofuran-3-yloxy)phenyl)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
InChIKeyNYIOLMJQDSDGOO-FFDFUSRSSA-N

02Structure identifiers

2D structurePubChem CID 137949072
Two-dimensional chemical structure of Empagliflozin Hydroxymethylphenyl, CAS 2137418-13-2
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 stereocentres1
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1COC[C@H]1OC2=CC=C(C=C2)C(C3=C(C=CC(=C3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)Cl)O
InChINot listed
Formula from structureC23H27ClO8
Molecular weight from structure466.91 g/mol

03Stereochemistry

The published structure contains 6 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 128Before 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 2137418-13-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2137418-13-2 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

  • Hydroxy Empagliflozin
  • 2137418-13-2
  • (2S,3R,4R,5S,6R)-2-(4-Chloro-3-(hydroxy(4-(((S)-tetrahydrofuran-3-yl)oxy)phenyl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
  • (2S,3R,4R,5S,6R)-2-{4-chloro-3-[hydroxy({4-[(3S)-oxolan-3-yloxy]phenyl})methyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol
  • Empagliflozin Impurity 77
  • 6ETP4W2MD3
  • SCHEMBL28411704
  • (1S)-1,5-Anhydro-1-C-[4-chloro-3-[hydroxy[4-[[(3S)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-D-glucitol
  • CS-0166084
  • EN300-703014
  • F570933
  • (2S,3R,4R,5S,6R)-2-(4-chloro-3-(hydroxy(4-(((S)-tetrahydrofuran-3-yl)oxy)phenyl)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol? (Empagliflozin Impurity

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