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Details

Stereochemistry RACEMIC
Molecular Formula C16H13I4NO4
Molecular Weight 790.8966
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Thyroxine methyl ester, DL-

SMILES

COC(=O)C(N)CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1

InChI

InChIKey=ZTSGDCMQRKBJKC-UHFFFAOYSA-N
InChI=1S/C16H13I4NO4/c1-24-16(23)13(21)4-7-2-11(19)15(12(20)3-7)25-8-5-9(17)14(22)10(18)6-8/h2-3,5-6,13,22H,4,21H2,1H3

HIDE SMILES / InChI

Molecular Formula C16H13I4NO4
Molecular Weight 790.8966
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:35:34 GMT 2025
Edited
by admin
on Wed Apr 02 19:35:34 GMT 2025
Record UNII
5B4E73GL5E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DL-Thyroxine methyl ester
Preferred Name English
Thyroxine methyl ester, DL-
Common Name English
DL-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, methyl ester
Systematic Name English
Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, methyl ester
Systematic Name English
O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodotyrosine methyl ester
Systematic Name English
Code System Code Type Description
CAS
86154-71-4
Created by admin on Wed Apr 02 19:35:34 GMT 2025 , Edited by admin on Wed Apr 02 19:35:34 GMT 2025
PRIMARY
PUBCHEM
13911217
Created by admin on Wed Apr 02 19:35:34 GMT 2025 , Edited by admin on Wed Apr 02 19:35:34 GMT 2025
PRIMARY
FDA UNII
5B4E73GL5E
Created by admin on Wed Apr 02 19:35:34 GMT 2025 , Edited by admin on Wed Apr 02 19:35:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID401033868
Created by admin on Wed Apr 02 19:35:34 GMT 2025 , Edited by admin on Wed Apr 02 19:35:34 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE