Chemical identity

Atorvastatin Diepoxide / Atorvastatin Dihydroxy Diepoxide impurity (free acid)

CAS 887470-43-1 · C33H35FN2O7

01Identity

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

Lazychem IDLC-07006
PubChem CID57831773
NameAtorvastatin Diepoxide / Atorvastatin Dihydroxy Diepoxide impurity (free acid)
CAS RN887470-43-1
Molecular formulaC33H35FN2O7
Molecular weight590.64 g/mol
IUPAC name7-[N-Phenyl-2-[4-(4-fluorophenyl]-6-methylethyl]-3,7-dioxa-5-azatricyclo [4.1.0.02,4]-4-[{phenylamino}carboxamiide]-(3R,5R)-3,5-dihydroxyheptanoic acid
InChIKeyDLQIELWBQWXKIQ-LCYBKVMXSA-N

02Structure identifiers

2D structurePubChem CID 57831773
Two-dimensional chemical structure of Atorvastatin Diepoxide / Atorvastatin Dihydroxy Diepoxide impurity (free acid), CAS 887470-43-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 6 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 stereocentres4
Ring count6
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESCC(C)C12C(O1)(C3(C(N2CC[C@H](C[C@H](CC(=O)O)O)O)(O3)C4=CC=C(C=C4)F)C5=CC=CC=C5)C(=O)NC6=CC=CC=C6
InChINot listed
Formula from structureC33H35FN2O7
Molecular weight from structure590.64 g/mol

03Stereochemistry

The published structure contains 2 defined and 4 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres4Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 64Before 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 887470-43-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 887470-43-1 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

Atorvastatin

View API and impurity family

Other names

  • Atorvastatin Diepoxide
  • Atorvastatin Dihydroxy Diepoxide impurity (free acid)
  • 887470-43-1
  • SCHEMBL13736481
  • FA182390

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