Chemical identity

Rosuvastatin (3R,5R)-Isomer t-Butyl Ester / (3R,5R)-Rosuvastatin t-Butyl Ester

CAS 2162136-65-2 · C26H36FN3O6S

01Identity

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

Lazychem IDLC-27349
PubChem CID124640339
NameRosuvastatin (3R,5R)-Isomer t-Butyl Ester / (3R,5R)-Rosuvastatin t-Butyl Ester
CAS RN2162136-65-2
Molecular formulaC26H36FN3O6S
Molecular weight537.64
IUPAC name(3R,5R,6E)-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methyl sulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoic acid t-butyl ester
InChIKeyIJHZGLLGELSZAF-RXKWHAPPSA-N

02Structure identifiers

2D structurePubChem CID 124640339
Two-dimensional chemical structure of Rosuvastatin (3R,5R)-Isomer t-Butyl Ester / (3R,5R)-Rosuvastatin t-Butyl Ester, CAS 2162136-65-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 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 count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)C1=NC(=NC(=C1/C=C/[C@@H](C[C@H](CC(=O)OC(C)(C)C)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
InChINot listed
Formula from structureC26H36FN3O6S
Molecular weight from structure537.64

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

6 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 2162136-65-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2162136-65-2 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

Rosuvastatin

View API and impurity family

Other names

  • Rosuvastatin (3R,5R)-Isomer t-Butyl Ester
  • (3R, 5R)-Rosuvastatin t-Butyl Ester
  • Rosuvastatin Impurity 53
  • 2162136-65-2
  • tert-Butyl (3R,5R,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate
  • SCHEMBL28597129
  • CS-0165281
  • (3R,5R,E)-tert-butyl 7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate
  • (3R,5R,E)-tert-butyl 7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate? (Rosuvastatin Impurity pound(c)

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