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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

IUPAC name:
O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodotyrosine

Inventory

EC number:
200-101-1
EC name:
DL-thyroxin
CAS number:
51-48-9
CAS number:
51-48-9
Synonyms
Names:
L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-
Tyrosine
Identifier:
IUPAC name
tyrosine
Identifier:
other: Molecular formula
C9H11NO3
Identifier:
other: InChl
InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
Identifier:
other: SMILES notation
NC(Cc1ccc(O)cc1)C(=O)O

Molecular and structural information

Molecular formula:
C15H11I4NO4
Molecular weight:
776.87
SMILES notation:
N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O
InChl:
InChI=1/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)
Structural formula:
Chemical structure

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