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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H13I4NO4
Molecular Weight 790.8966
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

COC(=O)[C@H](N)CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1

InChI

InChIKey=ZTSGDCMQRKBJKC-CYBMUJFWSA-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/t13-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Thyroxine methyl ester, D-
Common Name English
D-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, methyl ester
Preferred Name English
O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-D-tyrosine methyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
6SBK9X9H9Y
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
CAS
2691027-70-8
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
NIH
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