Chemical identity

Atorvastatin EP Impurity F/ Diamino Atorvastatin Calcium/ Atorvastatin Related Compound F/ Atorvastatin Amide (Ca Salt)

CAS 1105067-87-5 · C40H47FN3O8 1/2Ca ; C40H47FN3O8 (Free Base)

01Identity

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

Lazychem IDLC-07024
PubChem CID71313516
NameAtorvastatin EP Impurity F/ Diamino Atorvastatin Calcium/ Atorvastatin Related Compound F/ Atorvastatin Amide (Ca Salt)
CAS RN1105067-87-5
Molecular formulaC40H47FN3O8 1/2Ca ; C40H47FN3O8 (Free Base)
Molecular weight737.0 g/mol ; 716.83 g/mol (Free Base)
IUPAC name(3R,5R)-7-[(3R,5R)-7-[2-(4-fIuorophenyI)-3-phenyI-4-(phenyIcarbamoyI)-5-(propan-2-yI)-1H-pyrroI-1-yI]-3,5- dihydroxyheptanamido]-3,5-dihydroxyheptanoic acid Calcium salt
InChIKeyCETKLOGGRFIZAH-WGRAOLKJSA-L

02Structure identifiers

2D structurePubChem CID 71313516
Two-dimensional chemical structure of Atorvastatin EP Impurity F/ Diamino Atorvastatin Calcium/ Atorvastatin Related Compound F/ Atorvastatin Amide (Ca Salt), CAS 1105067-87-5
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 8 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres8
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)NCC[C@H](C[C@H](CC(=O)[O-])O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)NCC[C@H](C[C@H](CC(=O)[O-])O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2]
InChINot listed
Formula from structureC80H94CaF2N6O16
Molecular weight from structure1473.73 g/mol

03Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 256Before 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 1105067-87-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1105067-87-5 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 USP RC F calcium salt
  • Atorvastatin EP Impurity F (Ca Salt)
  • Atorvastatin N-(3,5-Dihydroxy-7-heptanoic Acid)amide
  • Diamino Atorvastatin Calcium
  • Atorvastatin Amide
  • Atorvastatin Related Compound F

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