Chemical identity

1-C-[4-Chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-D-glucopyranose

CAS 461432-27-9 · C21H25ClO7

01Identity

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

Lazychem IDLC-11893
PubChem CID10342331
Name1-C-[4-Chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-D-glucopyranose
CAS RN461432-27-9
Molecular formulaC21H25ClO7
Molecular weight424.87 g/mol
IUPAC name(3R,4S,5S,6R)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol
InChIKeyKYDGWGYAUCJZDV-AWGDKMGJSA-N

02Structure identifiers

2D structurePubChem CID 10342331
Two-dimensional chemical structure of 1-C-[4-Chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-D-glucopyranose, CAS 461432-27-9
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 4 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres4
Unassigned stereocentres1
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)Cl
InChINot listed
Formula from structureC21H25ClO7
Molecular weight from structure424.87 g/mol

03Stereochemistry

The published structure contains 4 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 32Before 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 461432-27-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 461432-27-9 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 10
  • 1-C-[4-Chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-D-glucopyranose
  • 461432-27-9
  • D-Glucopyranose, 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-
  • (3R,4S,5S,6R)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol
  • SCHEMBL18627151
  • SCHEMBL31070273
  • DTXSID801175357
  • IC181108

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