Chemical identity

Cis-tosylate Ketoconazole

CAS 2095256-87-2 · C21H20Cl2N2O5S

01Identity

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

Lazychem IDLC-10875
PubChem CID29978142
NameCis-tosylate Ketoconazole
CAS RN2095256-87-2
Molecular formulaC21H20Cl2N2O5S
Molecular weight483.36 g/mol
IUPAC name((2R,4S)-2-((1H-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate
InChIKeyWAXNIYHZFWRPGS-UWJYYQICSA-N

02Structure identifiers

2D structurePubChem CID 29978142
Two-dimensional chemical structure of Cis-tosylate Ketoconazole, CAS 2095256-87-2
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
SMILESCC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2CO[C@](O2)(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
InChINot listed
Formula from structureC21H20Cl2N2O5S
Molecular weight from structure483.36 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 2095256-87-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2095256-87-2 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

Ketoconazole

View API and impurity family

Other names

  • Cis-tosylate Ketoconazole / Ketoconazole Impurity 17
  • Cis-tosylate Ketoconazole
  • Ketoconazole Impurity 17
  • 3-cinnamyl 5-(2-(methoxy-d3)ethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
  • ((2R,4S)-2-((1H-Imidazol-1-YL)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-YL)methyl 4-methylbenzenesulfonate (ketoconazole impurity)
  • 2095256-87-2
  • ((2R,4S)-2-((1H-Imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate
  • Cis-2-(2,4-Dichlorophenyl)-2-(1H-Imidazole-1-yl-methyl-1,3-dioxolan-4-y1)methyl-4-methylbenzenesulfonate
  • [(2R,4S)-2-(2,4-DICHLOROPHENYL)-2-(IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHYL 4-METHYLBENZENESULFONATE
  • C21H20Cl2N2O5S
  • (cis-2-((1H-Imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate
  • 155047-76-0

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