Chemical identity

Efinaconazole Impurity 42

CAS 2252350-12-0 · C18H22F2N4O

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-13819
PubChem CID139509358
NameEfinaconazole Impurity 42
CAS RN2252350-12-0
Molecular formulaC18H22F2N4O
Molecular weight348.40 g/mol
IUPAC name(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
InChIKeyBROZCQVLVFAZGA-RDTXWAMCSA-N

02Structure identifiers

2D structurePubChem CID 139509358
Two-dimensional chemical structure of Efinaconazole Impurity 42, CAS 2252350-12-0
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 stereocentres2
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESCC1=CCN(CC1)[C@H](C)[C@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
InChINot listed
Formula from structureC18H22F2N4O
Molecular weight from structure348.40 g/mol

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 2252350-12-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2252350-12-0 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Efinaconazole

View API and impurity family

Other names

  • (2R,3R)-2-(2,4-Difluorophenyl)-3-(4-methyl-3,6-dihydropyridin-1(2H)-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
  • 2252350-12-0
  • Efinaconazole Impurity 60
  • SCHEMBL21380613
  • SCHEMBL29858074
  • (2R,3R)-2-(2,4-Difluorophenyl)-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
  • AKOS040768932

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources