Chemical identity

Ibuprofen EP Impurity M

CAS 60057-62-7 · C13H18O3

01Identity

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

Lazychem IDLC-16897
PubChem CID5228577
NameIbuprofen EP Impurity M
CAS RN60057-62-7
Molecular formulaC13H18O3
Molecular weight222.28 g/mol
IUPAC name(2RS)-2-Hydroxy-2-[4-(2-Methylpropyl)phenyl]propanoic acid
InChIKeyAPEODKDQAWQDLW-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 5228577
2D structure: Ibuprofen EP Impurity M, CAS 60057-62-7
Structure of Ibuprofen EP Impurity M (CAS 60057-62-7). LazyChem record. Source identity: PubChem CID 5228577. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC13H18O3
InChIKeyAPEODKDQAWQDLW-UHFFFAOYSA-N
Ring count1
Defined stereocentres0
Unassigned stereocentres1
SMILESCC(C)CC1=CC=C(C=C1)C(C)(C(=O)O)O
InChIInChI=1S/C13H18O3/c1-9(2)8-10-4-6-11(7-5-10)13(3,16)12(14)15/h4-7,9,16H,8H2,1-3H3,(H,14,15)

03Stereochemistry

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

Defined stereocentres02D structure
Unassigned stereocentres12D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 60057-62-7 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 60057-62-7 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Ibuprofen

View API and impurity family

Other names

  • 2-(4-Isobutylphenyl)-2-hydroxypropionic Acid
  • rac alpha-Hydroxy Ibuprofen
  • 2-(p-Isobutylphenyl)lactic Acid
  • 2-(p-Isobutylphenyl)-2-hydroxypropionic acid
  • (+/-)-2-Hydroxy-2-(4-(2-methylpropyl)phenyl)propanoic acid
  • Benzeneacetic acid, alpha-hydroxy-alpha-methyl-4-(2-methylpropyl)-

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