Identität

Orlistat Dimer Impurity

Nicht angegeben · C57H106N2O9

01Identität

Lazychem ID	LC-37955
CAS RN	Nicht angegeben
PubChem CID	71751338
Molecular formula	C57H106N2O9
Molecular weight	963.5 g/mol
IUPAC name	[(7R,8S,10S)-7-[[(2S)-1-[(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl]oxy-4-methyl-1-oxopentan-2-yl]carbamoyl]-8-hydroxyhenicosan-10-yl] (2S)-2-formamido-4-methylpentanoate
InChIKey	NVVMPRANOWJTRG-KREHMKRNSA-N

02Struktur und Stereochemie

Two-dimensional chemical structure of Orlistat Dimer Impurity — 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 8 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	8
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)[C@H](CCCCCC)[C@H](C[C@H](CCCCCCCCCCC)OC(=O)[C@H](CC(C)C)NC=O)O
InChI	Nicht angegeben

03Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 256Before 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.