Identitet

Sitagliptin N-sulfate

Ikke angivet · C16H15F6N5O4S

01Identitet

Lazychem ID	LC-40904
CAS RN	Ikke angivet
PubChem CID	46782925
Molecular formula	C16H15F6N5O4S
Molecular weight	487.4 g/mol
IUPAC name	[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]sulfamic acid
InChIKey	AOWQKFDVSZMKPA-SECBINFHSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of Sitagliptin N-sulfate — 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	0

SMILES	C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)NS(=O)(=O)O
InChI	Ikke angivet

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.