Chemical identity

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(3-fluoro-4-phenylphenyl)propanoate

CAS not listed · C25H31FO2

01Identity

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

Lazychem IDLC-32960
PubChem CID169440675
Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(3-fluoro-4-phenylphenyl)propanoate
CAS RNNot listed
Molecular formulaC25H31FO2
Molecular weight382.5 g/mol
IUPAC name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(3-fluoro-4-phenylphenyl)propanoate
InChIKeyCWLBNGOYNSJTSB-DIBPBHNCSA-N

02Structure identifiers

2D structurePubChem CID 169440675
Two-dimensional chemical structure of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(3-fluoro-4-phenylphenyl)propanoate
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres3
Unassigned stereocentres1
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(C)C2=CC(=C(C=C2)C3=CC=CC=C3)F)C(C)C
InChINot listed
Formula from structureC25H31FO2
Molecular weight from structure382.5 g/mol

03Stereochemistry

The published structure contains 3 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 16Before 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 FOUNDNo CAS number is available for an exact comparison.
SCOMETNO EXACT REVIEWED CAS MATCHNo CAS number is available for an exact comparison.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

No parent compound is listed.

Other names

  • Flurbiprofen Impurity 31

Related records from the same parent family

No related records are linked by parent name.

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