Chemical identity

Atorvastatin Acetonide t-Butyl Ester Side Chain (4R,6S)-Isomer

CAS 196085-84-4 · C14H23NO4

01Identity

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

Lazychem IDLC-06984
PubChem CID69827243
NameAtorvastatin Acetonide t-Butyl Ester Side Chain (4R,6S)-Isomer
CAS RN196085-84-4
Molecular formulaC14H23NO4
Molecular weight269.34 g/mol
IUPAC name(4R,6S)-1,3-Dioxane-4-acetic acid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester
InChIKeyDPNRMEJBKMQHMC-WDEREUQCSA-N

02Structure identifiers

2D structurePubChem CID 69827243
Two-dimensional chemical structure of Atorvastatin Acetonide t-Butyl Ester Side Chain (4R,6S)-Isomer, CAS 196085-84-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1(O[C@H](C[C@@H](O1)CC(=O)OC(C)(C)C)CC#N)C
InChINot listed
Formula from structureC14H23NO4
Molecular weight from structure269.34 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

5 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 196085-84-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 196085-84-4 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 Acetonide t-Butyl Ester side chain (4R,6S)-Isomer
  • tert-Butyl 2-((4R,6S)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
  • 196085-84-4
  • (4R,6S)-6-(Cyanomethyl)-2,2-dimethyl--1,3-dioxane-4-acetic Acid tert-Butyl Ester
  • Atorvastatin Impurity 55
  • Atorvastatin Impurity Z
  • SCHEMBL6571463
  • DTXSID80741404
  • tert-Butyl [(4R,6S)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

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