Chemical identity

Pregabalin EP Impurity D/ Isopropyl Mandelate (Free Base)

CAS 4118-51-8 · C11H14O3

01Identity

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

Lazychem IDLC-25928
PubChem CID20071
NamePregabalin EP Impurity D/ Isopropyl Mandelate (Free Base)
CAS RN4118-51-8
Molecular formulaC11H14O3
Molecular weight194.23 g/mol
IUPAC name1-Methylethyl (2RS)-2-hydroxy-2-phenylacetate
InChIKeySCJJMBMUZTUIJU-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 20071
Two-dimensional chemical structure of Pregabalin EP Impurity D/ Isopropyl Mandelate (Free Base), CAS 4118-51-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)OC(=O)C(C1=CC=CC=C1)O
InChINot listed
Formula from structureC11H14O3
Molecular weight from structure194.23 g/mol

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before 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 4118-51-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 4118-51-8 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

Pregabalin

View API and impurity family

Other names

  • Pregabalin EP Impurity D
  • propan-2-yl 2-hydroxy-2-phenylacetate
  • Isopropyl DL-Mandelate
  • Isopropyl mandelate

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