Chemical identity

(R,R)-Eluxadoline

CAS 1052250-94-8 · C32H35N5O5

01Identity

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

Lazychem IDLC-00541
PubChem CID53492423
Name(R,R)-Eluxadoline
CAS RN1052250-94-8
Molecular formulaC32H35N5O5
Molecular weight569.66 g/mol
IUPAC name5-(((R)-2-Amino-3-(4-carbamoyl-2,6-dimethylphenyl)-N-((R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl)propanamido)methyl)-2-methoxybenzoic acid
InChIKeyQFNHIDANIVGXPE-FQRUVTKNSA-N

02Structure identifiers

2D structurePubChem CID 53492423
Two-dimensional chemical structure of (R,R)-Eluxadoline, CAS 1052250-94-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 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 count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=CC(=CC(=C1C[C@H](C(=O)N(CC2=CC(=C(C=C2)OC)C(=O)O)[C@H](C)C3=NC=C(N3)C4=CC=CC=C4)N)C)C(=O)N
InChINot listed
Formula from structureC32H35N5O5
Molecular weight from structure569.66 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

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 1052250-94-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1052250-94-8 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

Eluxadoline

View API and impurity family

Other names

  • 5-[[[(2R)-2-Amino-3-[4-(aminocarbonyl)-2,6-dimethylphenyl]-1-oxopropyl][(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxybenzoic acid (ACI)
  • 1052250-94-8
  • SCHEMBL19553931
  • 5-(((R)-2-aMino-3-(4-carbaMoyl-2,6-diMethylphenyl)-N-((R)-1-(4-phenyl-1H-iMidazol-2-yl)ethyl)propanaMido)Methyl)-2-Methoxybenzoic 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