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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 71433959Generated: October 23, 2026

O-(4-Hydroxy-3,5-diiodophenyl)thyroxine

Levothyroxine Impurity-F · Levothyroxine EP IMpurity F · Levothyroxine BP Impurity F · Levothyroxine imp F( T6 LTX) · Levothyroxine Related Compound · Levothyroxine Sodium Impurity L · O-(4-Hydroxy-3,5-diiodophenyl)thyroxine · LEVOTHYROXINE - IMPURITY F (T6 IMPURITY)

https://huagongshe.com/en/chemical/71433959

O-(4-Hydroxy-3,5-diiodophenyl)thyroxine molecular structure

Identifiers & Physical Properties

CAS No.911661-90-0
Molecular formulaC21H13I6NO5
Average molar mass1,120.8 g/mol
Monoisotopic mass1,120.50621052 g/mol
SMILESN[C@@H](Cc1cc(I)c(Oc2cc(I)c(Oc3cc(I)c(O)c(I)c3)c(I)c2)c(I)c1)C(=O)O
InChIKeyDBVHFBLWQRLBJN-KRWDZBQOSA-N
PubChem CID71433959
DTXSIDDTXSID90238431

Chemical & Physical Properties

XLogP5.2
Topological polar surface area102
Hydrogen bond donors3
Hydrogen bond acceptors6
Rotatable bonds7
Heavy atoms33
Formal charge0
Complexity629
Melting point210 °C (decomp)
Boiling point712.1±60.0 °C(Predicted)
Density2.737±0.06 g/cm3(Predicted)
pKa (acidity coefficient)2.13±0.30(Predicted)
InChIKeyDBVHFBLWQRLBJN-KRWDZBQOSA-N
SMILESC(O)(=O)[C@H](CC1=CC(I)=C(OC2=CC(I)=C(OC3=CC(I)=C(O)C(I)=C3)C(I)=C2)C(I)=C1)N
FDA UNII1D91H0NG3B
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302-H315-H319-H335
GHS precautionary statementsP261-P280-P301+P312-P302+P352-P305+P351+P338

Safety & Regulations

Signal wordWarning
GHS pictogramGHS07
GHS hazard statementsH302-H315-H319-H335
GHS precautionary statementsP261-P280-P301+P312-P302+P352-P305+P351+P338

Applications & Uses

Uses

An analog of Thyroxine (H963600).