Chemical identity

Dapagliflozin EP Impurity A / Dapagliflozin Related Compound A / Dapagliflozin 4-Bromo Analog

CAS 1807632-95-6 · C21H25BrO6

01Identity

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

Lazychem IDLC-11887
PubChem CID126503386
NameDapagliflozin EP Impurity A / Dapagliflozin Related Compound A / Dapagliflozin 4-Bromo Analog
CAS RN1807632-95-6
Molecular formulaC21H25BrO6
Molecular weight453.32 g/mol
IUPAC name(1S)-1,5-Anhydro-1-C-[4-bromo-3-[(4-ethoxyphenyl)methyl]phenyl]-D-glucitol
InChIKeyUABOQFANGSVXKK-ADAARDCZSA-N

02Structure identifiers

2D structurePubChem CID 126503386
Two-dimensional chemical structure of Dapagliflozin EP Impurity A / Dapagliflozin Related Compound A / Dapagliflozin 4-Bromo Analog, CAS 1807632-95-6
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 stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Br
InChINot listed
Formula from structureC21H25BrO6
Molecular weight from structure453.32 g/mol

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully 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 1807632-95-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1807632-95-6 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

Dapagliflozin

View API and impurity family

Other names

  • Dapagliflozin Impurity A CRS (Y0002486)
  • Dapagliflozin EP Impurity A
  • Dapagliflozin 4-Bromo Analog
  • (2S,3R,4R,5S,6R)-2-[4-Bromo-3-(4-ethoxybenzyl)phenyl]-6-(hydroxymethyl)tetrahydro-2H-pyran3,4,5-triol
  • Dapagliflozin Related Compound A

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