Chemical identity

Atorvastatin EP Impurity A (Ca salt)

CAS 433289-83-9 · As Calcium Salt: C66H70CaN4O10 ; As Free Base: C33H36N2O5

01Identity

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

Lazychem IDLC-07012
PubChem CID92135123
NameAtorvastatin EP Impurity A (Ca salt)
CAS RN433289-83-9
Molecular formulaAs Calcium Salt: C66H70CaN4O10 ; As Free Base: C33H36N2O5
Molecular weightAs Calcium Salt: 1119.38 g/mol ; As Free Base: 540.65 g/mol
IUPAC name(3R,5R)-7-[2,3-diphenyI-4-(phenyIcarbamoyI)-5-(propan-2-yI)-1H-pyrroI-1-yI]-3,5-dihydroxyheptanoic acid Calcium Salt (1:2)
InChIKeyILJBDHBNPXANQZ-MNSAWQCASA-L

02Structure identifiers

2D structurePubChem CID 92135123
Two-dimensional chemical structure of Atorvastatin EP Impurity A (Ca salt), CAS 433289-83-9
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
SMILESCC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2]
InChINot listed
Formula from structureC66H70CaN4O10
Molecular weight from structure1119.38 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 433289-83-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 433289-83-9 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

  • Desfluoroatorvastatin (Ca salt)
  • Atorvastatin Related Compound A (Ca salt)

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