Chemical identity

(2S,3R,4R,5S,6R)-2-(4-Chloro-3-((4-ethoxyphenyl)(hydroperoxy)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

CAS 2452300-94-4 · C21H25ClO8

01Identity

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

Lazychem IDLC-00210
PubChem CID150965674
Name(2S,3R,4R,5S,6R)-2-(4-Chloro-3-((4-ethoxyphenyl)(hydroperoxy)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CAS RN2452300-94-4
Molecular formulaC21H25ClO8
Molecular weight440.87 g/mol
IUPAC name(2S,3R,4R,5S,6R)-2-(4-Chloro-3-((4-ethoxyphenyl)(hydroperoxy)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
InChIKeyLNALRIDFLCYCGX-XYKZKTJVSA-N

02Structure identifiers

2D structurePubChem CID 150965674
Two-dimensional chemical structure of (2S,3R,4R,5S,6R)-2-(4-Chloro-3-((4-ethoxyphenyl)(hydroperoxy)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, CAS 2452300-94-4
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
SMILESCCOC1=CC=C(C=C1)C(C2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)OO
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 2452300-94-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2452300-94-4 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

Dapagliflozin

View API and impurity family

Other names

  • Dapagliflozin impurity A
  • 2452300-94-4
  • (2S,3R,4R,5S,6R)-2-(4-Chloro-3-((4-ethoxyphenyl)(hydroperoxy)methyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
  • (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)-hydroperoxymethyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
  • Dapagliflozin peroxide impurity
  • orb3132824
  • SCHEMBL28411766
  • DA-52307
  • HY-400785
  • CS-0905213
  • G87535
  • Dapagliflozin Impurity POE (hydroperoxy 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