Chemical identity

Ibuprofen Ethyl Ester

CAS 41283-72-1 · C15H22O2

01Identity

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

Lazychem IDLC-16905
PubChem CID170486
NameIbuprofen Ethyl Ester
CAS RN41283-72-1
Molecular formulaC15H22O2
Molecular weight234.34 g/mol
IUPAC nameethyl 2-(4-isobutylphenyl)propanoate
InChIKeyHXTFUVWJFLDLJP-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 170486
2D structure: Ibuprofen Ethyl Ester, CAS 41283-72-1
Structure of Ibuprofen Ethyl Ester (CAS 41283-72-1). LazyChem record. Source identity: PubChem CID 170486. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC15H22O2
InChIKeyHXTFUVWJFLDLJP-UHFFFAOYSA-N
Ring count1
Defined stereocentres0
Unassigned stereocentres1
SMILESCC(C1=CC=C(CC(C)C)C=C1)C(OCC)=O
InChIInChI=1S/C15H22O2/c1-5-17-15(16)12(4)14-8-6-13(7-9-14)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3

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

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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 41283-72-1 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 41283-72-1 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

  • Hydratropic acid, p-isobutyl-, ethyl ester
  • ethyl alpha-(p-isobutylpheny)propionate
  • ethyl 4-isobutyl-alpha-methylphenylacetate
  • 2-(4-Isobutylphenyl)-propionic acid ethyl ester

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