Identität

Posaconazole Impurity 88

Nicht angegeben · C37H42F2N8O4

01Identität

Lazychem ID	LC-32840
CAS RN	Nicht angegeben
PubChem CID	171061670
Molecular formula	C37H42F2N8O4
Molecular weight	700.8 g/mol
IUPAC name	(5S)-N-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5-ethyl-6-methyl-5,6-dihydro-1,3,4-oxadiazine-4-carboxamide
InChIKey	RIPRBAJKMRCEEY-SNECAYJWSA-N

02Struktur und Stereochemie

Two-dimensional chemical structure of Posaconazole Impurity 88 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 7 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	7
Secondary amines	0
Tertiary amines	2

SMILES	CC[C@H]1C(OC=NN1C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F)C
InChI	Nicht angegeben

03Stereochemistry

The published structure contains 3 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 16Before 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.