Chemical identity

Posaconazole Intermediate (R-trans isomer)

CAS 2243786-07-2 · C20H18ClF2N3O4S

01Identity

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

Lazychem IDLC-25689
PubChem CID124222692
NamePosaconazole Intermediate (R-trans isomer)
CAS RN2243786-07-2
Molecular formulaC20H18ClF2N3O4S
Molecular weight469.9 g/mol
IUPAC name((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-chlorobenzenesulfonate
InChIKeyWUPORSBDFSRGHD-VLIAUNLRSA-N

02Structure identifiers

2D structurePubChem CID 124222692
Two-dimensional chemical structure of Posaconazole Intermediate (R-trans isomer), CAS 2243786-07-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 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 count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1[C@H](CO[C@@]1(CN2C=NC=N2)C3=C(C=C(C=C3)F)F)COS(=O)(=O)C4=CC=C(C=C4)Cl
InChINot listed
Formula from structureC20H18ClF2N3O4S
Molecular weight from structure469.9 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

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 2243786-07-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2243786-07-2 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

Posaconazole

View API and impurity family

Other names

  • Posaconazole Impurity 16
  • D-erythro-Pentitol, 1,4-anhydro-2-[[[(4-chlorophenyl)sulfonyl]oxy]methyl]-2,3,5-trideoxy-4-C-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)-
  • 1,4-Anhydro-2-({[(4-chlorophenyl)sulfonyl]oxy}methyl)-2,3,5-trideoxy-4-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-yl)-D-erythro-pentitol
  • Posaconazole Intermediate (R-trans isomer)
  • 2243786-07-2
  • ((3R,5R)-5-((1H-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl 4-chlorobenzenesulfonate
  • [(3R,5R)-5-(2,4-difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]oxolan-3-yl]methyl 4-chlorobenzene-1-sulfonate

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