Chemical identity

Pitavastatin 5-Oxo impurity

CAS 222306-15-2 · C25H22FNO4

01Identity

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

Lazychem IDLC-25468
PubChem CID57574064
NamePitavastatin 5-Oxo impurity
CAS RN222306-15-2
Molecular formulaC25H22FNO4
Molecular weight419.44
IUPAC name(3R,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3-hydroxy-5-oxo-6-heptenoic Acid
InChIKeyGSCOCVOFYBEZGB-TZZQJPOUSA-N

02Structure identifiers

2D structurePubChem CID 57574064
Two-dimensional chemical structure of Pitavastatin 5-Oxo impurity, CAS 222306-15-2
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 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1CC1C2=NC3=CC=CC=C3C(=C2/C=C/C(=O)C[C@H](CC(=O)O)O)C4=CC=C(C=C4)F
InChINot listed
Formula from structureC25H22FNO4
Molecular weight from structure419.44

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 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 222306-15-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 222306-15-2 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

Pitavastatin

View API and impurity family

Other names

  • 5-Oxo impurity of Pitavastatin
  • (3R,6E)-7-(2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3-hydroxy-5-oxo-6-heptenoic acid
  • 222306-15-2
  • VSZ43HE9FC
  • RefChem:1050281
  • 5-Oxo Pitavastatin
  • Dihydroxy pitavastatin
  • Pitavastatin metabolite M-3
  • UNII-VSZ43HE9FC
  • (E,3R)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3-hydroxy-5-oxohept-6-enoic acid
  • 6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3-hydroxy-5-oxo-, (3R,6E)-
  • SCHEMBL4022642

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