Posaconazole Impurity 3

01Identita

Lazychem ID	LC-37422
CAS RN	Neuvedeno
PubChem CID	78577436
Molecular formula	C30H35N5O3
Molecular weight	513.6 g/mol
IUPAC name	4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-2-[(2S,3R)-2-phenylmethoxypentan-3-yl]-1,2,4-triazol-3-one
InChIKey	QLRPRKJUMRQTOV-MUAVYFROSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Posaconazole Impurity 3 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	5
Secondary amines	0
Tertiary amines	2

SMILES	CC[C@H]([C@H](C)OCC1=CC=CC=C1)N2C(=O)N(C=N2)C3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)O
InChI	Neuvedeno

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

4 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

QLRPRKJUMRQTOV-MUAVYFROSA-N

Current configuration

1-((2R,3R)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one

CAS not listed

QLRPRKJUMRQTOV-RNWIMVQKSA-N

2 defined, 0 unassigned centres

1-((2R,3S)-2-(benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one

CAS not listed

QLRPRKJUMRQTOV-BTYSJIOQSA-N

2 defined, 0 unassigned centres

Posaconazole Hydroxy O-Benzyl Impurity

CAS 184177-83-1

QLRPRKJUMRQTOV-IADCTJSHSA-N

2 defined, 0 unassigned centres

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Stav v Indii

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

Posaconazole Impurity 3

01Identita

02Struktura a stereochemie

03Stereochemistry

Published same-connectivity configurations