Chemical identity

Monochlorotriiodothyronine

CAS 909279-46-5 · C15H11ClI3NO4

01Identity

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

Lazychem IDLC-18653
PubChem CID71587860
NameMonochlorotriiodothyronine
CAS RN909279-46-5
Molecular formulaC15H11ClI3NO4
Molecular weight685.43 g/mol
IUPAC name3-[3-Chloro-4(4-hydroxy-3,5-diodophenoxy)-5-iodopheyl]-L-Alanine
InChIKeyHWGVSMDUSKJICA-LBPRGKRZSA-N

02Structure identifiers

2D structurePubChem CID 71587860
Two-dimensional chemical structure of Monochlorotriiodothyronine, CAS 909279-46-5
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 stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1=C(C=C(C(=C1Cl)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)O)N
InChINot listed
Formula from structureC15H11ClI3NO4
Molecular weight from structure685.43 g/mol

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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 909279-46-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 909279-46-5 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 impurity 10/ Monochlorotriiodothyronine
  • Levothyroxin Impurity 10
  • Monochlorotriiodothyronine
  • 3-Monochlorotriiodothyronine
  • 909279-46-5
  • 3-Chloro-3',5,5'-triiodo-L-thyronine
  • UNII-CPY747550R
  • CPY747550R
  • (2S)-2-amino-3-[3-chloro-4-(4-hydroxy-3,5-diiodophenoxy)-5-iodophenyl]propanoic acid
  • (S)-2-Amino-3-(3-chloro-4-(4-hydroxy-3,5-diiodophenoxy)-5-iodophenyl)
  • Alanine, 3-(3-chloro-4-(4-hydroxy-3,5-diiodophenoxy)-5-iodophenyl)-, L-
  • Levothyroxine sodium impurity, monochlorotriiodothyronine- [USP]

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