Chemical identity

Alogliptin Related Compound 16/ Alogliptin carboxylic Acid Impurity

CAS 2748587-69-9 · C18H22N4O4

01Identity

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

Lazychem IDLC-05601
PubChem CID129011945
NameAlogliptin Related Compound 16/ Alogliptin carboxylic Acid Impurity
CAS RN2748587-69-9
Molecular formulaC18H22N4O4
Molecular weight358.40 g/mol
IUPAC name(R)-2-((6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzoic acid
InChIKeyQDFWYYDULGUAAG-CYBMUJFWSA-N

02Structure identifiers

2D structurePubChem CID 129011945
Two-dimensional chemical structure of Alogliptin Related Compound 16/ Alogliptin carboxylic Acid Impurity, CAS 2748587-69-9
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 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESCN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C(=O)O)N3CCC[C@H](C3)N
InChINot listed
Formula from structureC18H22N4O4
Molecular weight from structure358.40 g/mol

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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 2748587-69-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2748587-69-9 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

Alogliptin

View API and impurity family

Other names

  • Alogliptin Related Compound 16
  • Alogliptin carboxylic Acid Impurity
  • Alogliptin Impurity 4
  • Alogliptin Impurity L
  • 2748587-69-9
  • SCHEMBL28406798
  • (R)-2-((6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzoic acid

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