Chemical identity

Deferasirox 1,3-Isomer

CAS 2254105-61-6 · C21H15N3O4

01Identity

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

Lazychem IDLC-12107
PubChem CID141204258
NameDeferasirox 1,3-Isomer
CAS RN2254105-61-6
Molecular formulaC21H15N3O4
Molecular weight373.36 g/mol
IUPAC name3-[3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid
InChIKeyKKTHKIBVWVQDIW-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 141204258
Two-dimensional chemical structure of Deferasirox 1,3-Isomer, CAS 2254105-61-6
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 stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1=CC=C(C(=C1)C2=NN(C(=N2)C3=CC=CC=C3O)C4=CC=CC(=C4)C(=O)O)O
InChINot listed
Formula from structureC21H15N3O4
Molecular weight from structure373.36 g/mol

03India 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 2254105-61-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2254105-61-6 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.

04Names and relationships

Associated parent compound

Deferasirox

View API and impurity family

Other names

  • Deferasirox meta isomer
  • 2254105-61-6
  • GS888U2RQ9
  • 3-(3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl)benzoic acid
  • UNII-GS888U2RQ9
  • Deferasirox impurity D [EP]
  • Benzoic acid, 3-(3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl)-
  • Deferasirox EP Impurity D
  • CHEMBL5592805
  • SCHEMBL28474529
  • DEFERASIROX IMPURITY D [EP IMPURITY]
  • Deferasirox 1,3-isomer

Related records from the same parent family

05Documented 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.

06Sources