Chemical identity

ortho-Hydroxy Atorvastatin Lactone / 2-Hydroxy Atorvastatin Lactone

CAS 163217-74-1 · C33H33FN2O5

01Identity

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

Lazychem IDLC-24228
PubChem CID10650434
Nameortho-Hydroxy Atorvastatin Lactone / 2-Hydroxy Atorvastatin Lactone
CAS RN163217-74-1
Molecular formulaC33H33FN2O5
Molecular weight556.63 g/mol
IUPAC name5-(4-Fluorophenyl)-1-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-N-(2-hydroxyphenyl)-2-isopropyl-4-phenyl-1H-pyrrole-3-carboxamide
InChIKeyMNECBMZJZFGTIK-JWQCQUIFSA-N

02Structure identifiers

2D structurePubChem CID 10650434
Two-dimensional chemical structure of ortho-Hydroxy Atorvastatin Lactone / 2-Hydroxy Atorvastatin Lactone, CAS 163217-74-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 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 stereocentres0
Ring count5
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)C1=C(C(=C(N1CC[C@@H]2C[C@H](CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5O
InChINot listed
Formula from structureC33H33FN2O5
Molecular weight from structure556.63 g/mol

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before 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 163217-74-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 163217-74-1 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

  • ortho-Hydroxy Atorvastatin Lactone
  • 2-Hydroxy Atorvastatin Lactone
  • o-Hydroxyatorvastatin lactone
  • 163217-74-1
  • UNII-N8OH05250C
  • N8OH05250C
  • 1H-Pyrrole-3-carboxamide, 5-(4-fluorophenyl)-N-(2-hydroxyphenyl)-2-(1-methylethyl)-4-phenyl-1-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-
  • DTXSID50167536
  • (2R-Trans)-5-(4-fluorophenyl)-2-(1-methylethyl)-N-(2-hydroxyphenyl)-4-phenyl-1-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1H-pyrrole-3-carboxamide
  • 1H-Pyrrole-3-carboxamide, 5-(4-fluorophenyl)-N-(2-hydroxyphenyl)-2-(1-methylethyl)-4-phenyl-1-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-, (2R-trans)-
  • RefChem:167222
  • DTXCID2090027

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