Chemical identity

S,R Diastereomer Efinaconazole

CAS 2055038-61-2 · C18H22F2N4O

01Identity

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

Lazychem IDLC-27667
PubChem CID9819704
NameS,R Diastereomer Efinaconazole
CAS RN2055038-61-2
Molecular formulaC18H22F2N4O
Molecular weight348.4
IUPAC name(2S,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
InChIKeyNFEZZTICAUWDHU-KDOFPFPSSA-N

02Structure identifiers

2D structurePubChem CID 9819704
Two-dimensional chemical structure of S,R Diastereomer Efinaconazole, CAS 2055038-61-2
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
SMILESC[C@H]([C@@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCC(=C)CC3
InChINot listed
Formula from structureC18H22F2N4O
Molecular weight from structure348.4

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

3 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.

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 2055038-61-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2055038-61-2 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

  • (2S,3R)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
  • 2055038-61-2
  • 2S,3R-Efinaconazole
  • (2S,3R)-2-(2,4-Difluorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
  • Efinaconazole (SR) diastereomer
  • SCHEMBL18289601
  • PD132766

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