Identita

Linagliptin EP Impurity E

CAS 2803370-12-7 · C38H42N10O4

01Identita

Lazychem IDLC-18784
CAS RN2803370-12-7
PubChem CID78358438
Molecular formulaC38H42N10O4
Molecular weight702.80 g/mol
IUPAC name2-((R)-3-aminopiperidine-1-carbonyl)-N-((R)-1-(7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidin-3-yl)benzamide
InChIKeyDGWJWWPYHJPRAZ-CLJLJLNGSA-N

02Struktura a stereochemie

2D structurePubChem CID 78358438
Two-dimensional chemical structure of Linagliptin EP Impurity E, CAS 2803370-12-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 7 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count7
Secondary amines0
Tertiary amines1
SMILESCC#CCN1C2=C(N=C1N3CCC[C@H](C3)NC(=O)C4=CC=CC=C4C(=O)N5CCC[C@H](C5)N)N(C(=O)N(C2=O)CC6=NC7=CC=CC=C7C(=N6)C)C
InChINeuvedeno

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before 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.

04Stav v Indii

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Názvy a vztahy

API a mateřské léčivo

Linagliptin

Nečistoty a související sloučeniny

Názvy a vztahy

  • Linagliptin Impurity E

Nečistoty a související sloučeniny

06Zdroje