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
2D structure: Levothyroxine beta-Hydroxy Impurity, CAS 107849-54-7
Structure of Levothyroxine beta-Hydroxy Impurity (CAS 107849-54-7). LazyChem record. Source identity: PubChem CID 71749373. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC15H11I4NO5
InChIKeyQIFVILYTCIFAPL-PXYINDEMSA-N
Ring count2
Defined stereocentres1
Unassigned stereocentres1
SMILESC1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C([C@@H](C(=O)O)N)O
InChIInChI=1S/C15H11I4NO5/c16-7-3-6(4-8(17)13(7)22)25-14-9(18)1-5(2-10(14)19)12(21)11(20)15(23)24/h1-4,11-12,21-22H,20H2,(H,23,24)/t11-,12?/m0/s1

03Stereochemistry

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

Defined stereocentres12D structure
Unassigned stereocentres12D structure
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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 107849-54-7 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 107849-54-7 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

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-
  • UNII-9H1713CTRY

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