Tunnistetiedot

Trelagliptin Impurity 5

Ei ilmoitettu · C22H24FN5O5

01Tunnistetiedot

Lazychem ID	LC-33852
CAS RN	Ei ilmoitettu
PubChem CID	154574671
Molecular formula	C22H24FN5O5
Molecular weight	457.5 g/mol
IUPAC name	4-[[(3R)-1-[3-[(2-cyano-5-fluorophenyl)methyl]-1-methyl-2,6-dioxopyrimidin-4-yl]piperidin-3-yl]amino]-4-oxobutanoic acid
InChIKey	QIJKBSCWMVFRIX-QGZVFWFLSA-N

02Rakenne ja stereokemia

Two-dimensional chemical structure of Trelagliptin Impurity 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, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	1
Ring count	3
Secondary amines	0
Tertiary amines	1

SMILES	CN1C(=O)C=C(N(C1=O)CC2=C(C=CC(=C2)F)C#N)N3CCC[C@H](C3)NC(=O)CCC(=O)O
InChI	Ei ilmoitettu

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.