Chemical identity

Pregabalin Racemic Impurity / Pregabalin Racemate

CAS 128013-69-4 · C8H17NO2

01Identity

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

Lazychem IDLC-25950
PubChem CID4715169
NamePregabalin Racemic Impurity / Pregabalin Racemate
CAS RN128013-69-4
Molecular formulaC8H17NO2
Molecular weight159.23 g/mol
IUPAC name3-(Aminomethyl)-5-methylhexanoic acid
InChIKeyAYXYPKUFHZROOJ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 4715169
Two-dimensional chemical structure of Pregabalin Racemic Impurity / Pregabalin Racemate, CAS 128013-69-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure is acyclic, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres1
Ring count0
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)CC(CC(=O)O)CN
InChINot listed
Formula from structureC8H17NO2
Molecular weight from structure159.23 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 128013-69-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 128013-69-4 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

Pregabalin

View API and impurity family

Other names

  • (+/-)-Pregabalin
  • Pregabalin Racemic Impurity
  • Pregabalin Racemate
  • rac-Pregabalin
  • 3-(Aminomethyl)-5-methylhexanoic acid
  • 128013-69-4
  • DTXSID20861392
  • RefChem:1066974
  • DTXCID40210005
  • 876-133-0
  • 130912-52-6
  • Hexanoic acid, 3-(aminomethyl)-5-methyl-

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