Efinaconazole Impurity C

01Identität

Lazychem ID	LC-37116
CAS RN	Nicht angegeben
PubChem CID	87600190
Molecular formula	C12H11F2N3O
Molecular weight	251.23 g/mol
IUPAC name	1-[[(2S,3R)-2-(2,5-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole
InChIKey	QYOWWJNQQPRWCO-PELKAZGASA-N

02Struktur und Stereochemie

Two-dimensional chemical structure of Efinaconazole Impurity C — 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	C[C@@H]1[C@@](O1)(CN2C=NC=N2)C3=C(C=CC(=C3)F)F
InChI	Nicht angegeben

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

QYOWWJNQQPRWCO-PELKAZGASA-N

Current configuration

1-(((2R,3S)-2-(2,5-difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole

CAS not listed

QYOWWJNQQPRWCO-QPUJVOFHSA-N

2 defined, 0 unassigned centres

1-[[(2R,3R)-2-(2,5-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole

CAS not listed

QYOWWJNQQPRWCO-PRHODGIISA-N

2 defined, 0 unassigned centres

1-[[(2S,3S)-2-(2,5-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole

CAS not listed

QYOWWJNQQPRWCO-UFBFGSQYSA-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.

04Status in Indien

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

Efinaconazole Impurity C

01Identität

02Struktur und Stereochemie

03Stereochemistry

Published same-connectivity configurations