Chemical identity

Levothyroxine beta-Hydroxy Impurity

CAS 107849-54-7 · C15H11I4NO5

01Identity

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

Lazychem IDLC-18632
PubChem CID71749373
NameLevothyroxine beta-Hydroxy Impurity
CAS RN107849-54-7
Molecular formulaC15H11I4NO5
Molecular weight792.87
IUPAC nameO-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-beta-hydroxy-L-tyrosine
InChIKeyQIFVILYTCIFAPL-PXYINDEMSA-N

02Structure identifiers

2D structurePubChem CID 71749373
Two-dimensional chemical structure of Levothyroxine beta-Hydroxy Impurity, CAS 107849-54-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres1
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C([C@@H](C(=O)O)N)O
InChINot listed
Formula from structureC15H11I4NO5
Molecular weight from structure792.87

03Stereochemistry

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

Defined centres1Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially 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 107849-54-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 107849-54-7 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

Levothyroxine

View API and impurity family

Other names

  • Levothyroxine beta-Hydroxy Impurity / Levothyroxine Impurity 21 / beta-Hydroxy T4
  • Levothyroxine Beta Hydroxy
  • Levothyroxine Impurity 21
  • b-Hydroxy-T4
  • beta-Hydroxy T4
  • beta-Hydroxy thyroxine
  • Thyroxine, beta-hydroxy-
  • 107849-54-7
  • UNII-9H1713CTRY
  • 9H1713CTRY
  • O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-beta-hydroxy-L-tyrosine
  • DTXSID70148307

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