Chemical identity

(1RS,4SR)-7-(2-Methylpropyl)-1-[4-(2-methyl-propyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylic Acid

CAS 2517611-89-9 · C26H32O4

01Identity

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

Lazychem IDLC-00101
PubChem CID96364793
Name(1RS,4SR)-7-(2-Methylpropyl)-1-[4-(2-methyl-propyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylic Acid
CAS RN2517611-89-9
Molecular formulaC26H32O4
Molecular weight408.53 g/mol
IUPAC name(1RS,4SR)-7-(2-Methylpropyl)-1-[4-(2-methyl-propyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylic Acid
InChIKeyGXFQAIUKHDCTMF-BKMJKUGQSA-N

02Structure identifiers

2D structurePubChem CID 96364793
Two-dimensional chemical structure of (1RS,4SR)-7-(2-Methylpropyl)-1-[4-(2-methyl-propyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylic Acid, CAS 2517611-89-9
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 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)CC1=CC=C(C=C1)[C@@]2(CC[C@@H](C3=C2C=C(C=C3)CC(C)C)C(=O)O)C(=O)O
InChINot listed
Formula from structureC26H32O4
Molecular weight from structure408.53 g/mol

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

3 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 2517611-89-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2517611-89-9 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

Ibuprofen

View API and impurity family

Other names

  • (1R, 4S)-7-Isobutyl-1-(4-isobutylphenyl)-1, 2, 3, 4-tetrahydronaphthalene-1, 4-dicarboxylic acid

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