Chemical identity

Alogliptin Benzoate

CAS 850649-62-6 · C25H27N5O4

01Identity

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

Lazychem IDLC-05544
PubChem CID16088021
NameAlogliptin Benzoate
CAS RN850649-62-6
Molecular formulaC25H27N5O4
Molecular weight461.51 g/mol
IUPAC name2-[[6-[(3R)-3-Amino-1-piperidinyl]-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl]methyl]benzonitrile benzoate
InChIKeyKEJICOXJTRHYAK-XFULWGLBSA-N

02Structure identifiers

2D structurePubChem CID 16088021
Two-dimensional chemical structure of Alogliptin Benzoate, CAS 850649-62-6
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 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESCN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCC[C@H](C3)N.C1=CC=C(C=C1)C(=O)O
InChINot listed
Formula from structureC25H27N5O4
Molecular weight from structure461.51 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

3 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 850649-62-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 850649-62-6 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

Alogliptin

View API and impurity family

Other names

  • benzoic acid
  • Alogliptin benzoate
  • 850649-62-6
  • Nesina
  • SYR-322
  • Alogliptin (as benzoate)
  • EEN99869SC
  • CHEBI:72324
  • OSENI COMPONENT ALOGLIPTIN BENZOATE
  • KAZANO COMPONENT ALOGLIPTIN BENZOATE
  • Benzonitrile, 2-((6-((3R)-3-amino-1-piperidinyl)-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl)-, monobenzoate
  • 2-((6-((3R)-3-AMINOPIPERIDIN-1-YL)-3-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)METHYL)BENZONITRILE MONOBENZOATE

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