Chemical identity

3-Deamino 3-Hydroxy Linagliptin

CAS 1620278-39-8 · C25H27N7O3

01Identity

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

Lazychem IDLC-02505
PubChem CID72202338
Name3-Deamino 3-Hydroxy Linagliptin
CAS RN1620278-39-8
Molecular formulaC25H27N7O3
Molecular weight473.53 g/mol
IUPAC name(S)-7-(but-2-yn-1-yl)-8-(3-hydroxypiperidin-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione
InChIKeyQAHWUJQHJPWQGS-KRWDZBQOSA-N

02Structure identifiers

2D structurePubChem CID 72202338
Two-dimensional chemical structure of 3-Deamino 3-Hydroxy Linagliptin, CAS 1620278-39-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 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 count5
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESCC#CCN1C2=C(N=C1N3CCC[C@@H](C3)O)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C
InChINot listed
Formula from structureC25H27N7O3
Molecular weight from structure473.53 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 1620278-39-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1620278-39-8 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

Linagliptin

View API and impurity family

Other names

  • 3-De(amine)-3-hydroxy linagliptin, (3S)-
  • 1620278-39-8
  • CD-1790
  • UNII-L920390BEX
  • L920390BEX
  • 7-but-2-ynyl-8-(3s-hydroxy-piperidin-1-yl)-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione
  • 7-but-2-ynyl-8-[(3S)-3-hydroxypiperidin-1-yl]-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione
  • Linagliptin Impurity 132
  • LINAGLIPTIN METABOLITE M474(1)
  • Q27282854
  • (S)-7-(but-2-yn-1-yl)-8-(3-hydroxypiperidin-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione

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