Orlistat Impurity 48

01Identidad

Lazychem ID	LC-46245
CAS RN	No indicado
PubChem CID	11317937
Molecular formula	C29H53NO5
Molecular weight	495.7 g/mol
IUPAC name	[(2R)-1-[(2R,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] (2S)-2-formamido-4-methylpentanoate
InChIKey	AHLBNYSZXLDEJQ-LGTXBLIGSA-N

02Estructura y estereoquímica

Two-dimensional chemical structure of Orlistat Impurity 48 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	4
Ring count	1
Secondary amines	0
Tertiary amines	0

SMILES	CCCCCCCCCCC[C@H](C[C@@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
InChI	No indicado

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

8 records

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.

CAS not listed

AHLBNYSZXLDEJQ-LGTXBLIGSA-N

Current configuration