Chemical identity

Voriconazole EP Impurity D/ Voriconazole Related Compound B/ Voriconazole Enantiomer

CAS 137234-63-0 · C16H14F3N5O

01Identity

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

Lazychem IDLC-30922
PubChem CID15230631
NameVoriconazole EP Impurity D/ Voriconazole Related Compound B/ Voriconazole Enantiomer
CAS RN137234-63-0
Molecular formulaC16H14F3N5O
Molecular weight349.31 g/mol
IUPAC name((2S,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol)
InChIKeyBCEHBSKCWLPMDN-HWPZZCPQSA-N

02Structure identifiers

2D structurePubChem CID 15230631
Two-dimensional chemical structure of Voriconazole EP Impurity D/ Voriconazole Related Compound B/ Voriconazole Enantiomer, CAS 137234-63-0
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 amines0
N-methyl amine sites0
SMILESC[C@H](C1=NC=NC=C1F)[C@@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
InChINot listed
Formula from structureC16H14F3N5O
Molecular weight from structure349.31 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

5 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 137234-63-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 137234-63-0 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

Voriconazole

View API and impurity family

Other names

  • Voriconazole Related Compound B
  • Voriconazole Enantiomer
  • Voriconazole EP Impurity D
  • (alphaS,betaR)-alpha-(2,4-Difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
  • ent-Voriconazole
  • 137234-63-0
  • (2S,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
  • 1Y58LNV43M
  • DTXSID60160114
  • 4-Pyrimidineethanol, alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-, (alphaS,betaR)-
  • RefChem:1050806
  • DTXCID5082605

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