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

HCID 71433959CAS 911661-90-0

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Basic information

Standard SMILES
N[C@@H](Cc1cc(I)c(Oc2cc(I)c(Oc3cc(I)c(O)c(I)c3)c(I)c2)c(I)c1)C(=O)O
InChIKey
DBVHFBLWQRLBJN-KRWDZBQOSA-N
Molecular formula
C21H13I6NO5
Average molar mass
1,120.761 g/mol
Monoisotopic mass
1,120.50621052

Names & identifiers

Preferred name
O-(4-Hydroxy-3,5-diiodophenyl)thyroxine
IUPAC
O-[4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-3,5-diiodo-L-tyrosine
English name
Thyroxine-4-hydroxy-3,5-diiodophenyl Ether DISCONTINUED
Molecular formula
C21H13I6NO5
Molecular weight
1120.76

Names & synonyms

Levothyroxine Impurity-FLevothyroxine EP IMpurity FLevothyroxine BP Impurity FLevothyroxine imp F( T6 LTX)Levothyroxine Related CompoundLevothyroxine Sodium Impurity LO-(4-Hydroxy-3,5-diiodophenyl)thyroxineLEVOTHYROXINE - IMPURITY F (T6 IMPURITY)Thyroxine-4-hydroxy-3,5-diiodophenyl EtherLevothyroxine Impurity 6（Levothyroxine EP Impurity F）

Database identifiers

CAS
911661-90-0
PubChem CID
71433959
DTXSID
DTXSID90238431
UNII
1D91H0NG3B

Properties

Physicochemical properties

Melting point
210 °C · 210 °C (decomp)
Boiling point
712.1 · 712.1±60.0 °C(Predicted)
Density
2.737 · 2.737±0.06 g/cm3(Predicted)
pka
2.13 · 2.13±0.30(Predicted)
InChIKey
DBVHFBLWQRLBJN-KRWDZBQOSA-N
SMILES
C(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

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesAn analog of Thyroxine (H963600).

Suppliers50 total

上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

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