Chemical identity

C20H18BrN5O4

CAS 2279114-31-5 · C20H18BrN5O4

01Identity

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

Lazychem IDLC-18793
PubChem CID91810721
NameC20H18BrN5O4
CAS RN2279114-31-5
Molecular formulaC20H18BrN5O4
Molecular weight472.3 g/mol
IUPAC nameN-(2-Acetylphenyl)-2-(8-bromo-7-(but-2-yn-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide
InChIKeyRKFOIPYKBLOUTN-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 91810721
Two-dimensional chemical structure of C20H18BrN5O4, CAS 2279114-31-5
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, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC#CCN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC(=O)NC3=CC=CC=C3C(=O)C)C
InChINot listed
Formula from structureC20H18BrN5O4
Molecular weight from structure472.3 g/mol

03India 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 2279114-31-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2279114-31-5 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.

04Names and relationships

Associated parent compound

Linagliptin

View API and impurity family

Other names

  • Linagliptin Impurity 13
  • N-(2-Acetylphenyl)-2-(8-bromo-7-(but-2-yn-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide (Linagliptin Impurity)
  • 2279114-31-5
  • N-(2-Acetylphenyl)-2-(8-bromo-7-(but-2-yn-1-yl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide
  • Linagliptin Impurity 11
  • C20H18BrN5O4
  • SCHEMBL21703513
  • N-(2-acetylphenyl)-2-(8-bromo-7-(but-2-ynyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide
  • CS-0255303
  • F88873
  • N-(2-acetylphenyl)-2-(8-bromo-7-but-2-ynyl-3-methyl-2,6-dioxo-purin-1-yl)acetamide

Related records from the same parent family

05Documented 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.

06Sources