Chemical identity

1,3,5-Tris-[3-(3,5-Dimethylphenoxy)-2-hydroxypropyl]isocyanurate

CAS 2512209-00-4 · C36H45N3O9

01Identity

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

Lazychem IDLC-19837
PubChem CID89830879
Name1,3,5-Tris-[3-(3,5-Dimethylphenoxy)-2-hydroxypropyl]isocyanurate
CAS RN2512209-00-4
Molecular formulaC36H45N3O9
Molecular weight663.77 g/mol
IUPAC name1,3,5-tris(3-(3,5-dimethylphenoxy)-2-hydroxypropyl)-1,3,5-triazinane-2,4,6-trione
InChIKeyNRPURZAALGXPKC-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 89830879
Two-dimensional chemical structure of 1,3,5-Tris-[3-(3,5-Dimethylphenoxy)-2-hydroxypropyl]isocyanurate, CAS 2512209-00-4
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. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres3
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=CC(=CC(=C1)OCC(CN2C(=O)N(C(=O)N(C2=O)CC(COC3=CC(=CC(=C3)C)C)O)CC(COC4=CC(=CC(=C4)C)C)O)O)C
InChINot listed
Formula from structureC36H45N3O9
Molecular weight from structure663.77 g/mol

03Stereochemistry

The published structure contains 0 defined and 3 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres3Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 8Before 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 / RCSNO EXACT MATCH FOUNDCAS 2512209-00-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2512209-00-4 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

Metaxalone

View API and impurity family

Other names

  • Metaxalone Impurity 5
  • 1,3,5-Tris-[3-(3,5-Dimethylphenoxy)-2-hydroxypropyl]isocyanurate
  • 4D7BG7EEQ4
  • SCHEMBL15293255
  • 2512209-00-4
  • 1,3,5-tris[3-(3,5-Dimethylphenoxy)-2-hydroxy-propyl]-1,3,5-triazinane-2,4,6-trione

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