Identitet

Sitagliptin Impurity B

Inte angivet · C32H25F12N9O2

01Identitet

Lazychem ID	LC-40005
CAS RN	Inte angivet
PubChem CID	57355555
Molecular formula	C32H25F12N9O2
Molecular weight	795.6 g/mol
IUPAC name	3-[[4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)but-2-en-2-yl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
InChIKey	QQZZEIJGJLNXPW-UHFFFAOYSA-N

02Struktur och stereokemi

Two-dimensional chemical structure of Sitagliptin Impurity B — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 6 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	0
Ring count	6
Secondary amines	1
Tertiary amines	0

SMILES	C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)NC(=CC(=O)N4CCN5C(=NN=C5C(F)(F)F)C4)CC6=CC(=C(C=C6F)F)F
InChI	Inte angivet

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned

Unassigned centres1Structure unspecified

Assignment statusUnassignedExact 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.