化学标识

Belzutifan Impurity 2

未列出 · C17H12F3NO4S

01化学标识

Lazychem ID	LC-36237
CAS RN	未列出
PubChem CID	117947045
Molecular formula	C17H12F3NO4S
Molecular weight	383.3 g/mol
IUPAC name	3-[[(1S,2S,3S)-2,3-difluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]oxy]-5-fluorobenzonitrile
InChIKey	LOMMPXLFBTZENJ-BBWFWOEESA-N

02结构与立体化学

Two-dimensional chemical structure of Belzutifan Impurity 2 — 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 3 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

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

SMILES	CS(=O)(=O)C1=C2[C@@H]([C@@H]([C@H](C2=C(C=C1)OC3=CC(=CC(=C3)C#N)F)F)F)O
InChI	未列出

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 8Before 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.