Chemical identity

Desfluoro Pitavastatin Calcium impurity

CAS 1258947-30-6 · C50H48CaN2O8

01Identity

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

Lazychem IDLC-12377
PubChem CID44437864
NameDesfluoro Pitavastatin Calcium impurity
CAS RN1258947-30-6
Molecular formulaC50H48CaN2O8
Molecular weight845.00 g/mol
IUPAC name(3R,5S,6E)-7-(2-cyclopropyl-4-phenyl-3-quinolinyl)-3,5-dihydroxy-6-heptenoic Acid Calcium Salt (2:1)
InChIKeyFHPDARRNOZDMOJ-FAPMUMIKSA-L

02Structure identifiers

2D structurePubChem CID 44437864
Two-dimensional chemical structure of Desfluoro Pitavastatin Calcium impurity, CAS 1258947-30-6
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 8 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Unassigned stereocentres0
Ring count8
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=CC=C4.C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=CC=C4.[Ca+2]
InChINot listed
Formula from structureC50H48CaN2O8
Molecular weight from structure845.00 g/mol

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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 1258947-30-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1258947-30-6 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

  • Calcium (3R,5S,E)-7-(2-cyclopropyl-4-phenylquinolin-3-yl)-3,5-dihydroxyhept-6-enoate
  • 1258947-30-6
  • Defluoro Pitavastatin Calcium Salt
  • Pitavastatin Impurity 11
  • Pitavastatin Impurity 115
  • C50H48CaN2O8
  • Pitavastatin Desfluoro Impurity
  • 847849-67-6(free base)
  • G63885
  • calcium
  • (E,3R,5S)-7-(2-cyclopropyl-4-phenyl-3-quinolyl)-3,5-dihydroxy-hept-6-enoate
  • (3R,5S,6E)-7-(2-cyclopropyl-4-phenyl-3-quinolinyl)-3,5-dihydroxy-6-heptenoic Acid Calcium Salt (2:1)

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