Tapatybė

Posaconazole Impurity 26

Nenurodyta · C18H21F2N3O3

01Tapatybė

Lazychem ID	LC-35697
CAS RN	Nenurodyta
PubChem CID	125411792
Molecular formula	C18H21F2N3O3
Molecular weight	365.4 g/mol
IUPAC name	[(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 2-methylpropanoate
InChIKey	HCLWAPIMLRXVOX-ACJLOTCBSA-N

02Struktūra ir stereochemija

Two-dimensional chemical structure of Posaconazole Impurity 26 — 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 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	CC(C)C(=O)OC[C@H]1C[C@](OC1)(CN2C=NC=N2)C3=C(C=C(C=C3)F)F
InChI	Nenurodyta

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 4Before 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.