U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H13I2NO4
Molecular Weight 525.077
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3'-DIIODOTHYRONINE, L-

SMILES

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

InChI

InChIKey=CPCJBZABTUOGNM-LBPRGKRZSA-N
InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H13I2NO4
Molecular Weight 525.077
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:50:23 GMT 2023
Edited
by admin
on Fri Dec 15 19:50:23 GMT 2023
Record UNII
3L9U2Z4602
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3'-DIIODOTHYRONINE, L-
Common Name English
L-3,3'-DIIODOTHYRONINE
Common Name English
3,3'-DIIODO-L-THYRONINE
Systematic Name English
O-(4-HYDROXY-3-IODOPHENYL)-3-IODO-L-TYROSINE
Systematic Name English
LEVOTHYROXINE SODIUM IMPURITY J [EP IMPURITY]
Common Name English
L-TYROSINE, O-(4-HYDROXY-3-IODOPHENYL)-3-IODO-
Systematic Name English
3,3'-DIIODOTHYRONINE
Common Name English
ALANINE, 3-(4-(4-HYDROXY-3-IODOPHENOXY)-3-IODOPHENYL)-, L-
Systematic Name English
(2S)-2-AMINO-3-(4-(4-HYDROXY-3-IODOPHENOXY)-3-IODOPHENYL)PROPANOIC ACID
Systematic Name English
Classification Tree Code System Code
DSLD 3360 (Number of products:19)
Created by admin on Fri Dec 15 19:50:23 GMT 2023 , Edited by admin on Fri Dec 15 19:50:23 GMT 2023
Code System Code Type Description
PUBCHEM
107564
Created by admin on Fri Dec 15 19:50:23 GMT 2023 , Edited by admin on Fri Dec 15 19:50:23 GMT 2023
PRIMARY
FDA UNII
3L9U2Z4602
Created by admin on Fri Dec 15 19:50:23 GMT 2023 , Edited by admin on Fri Dec 15 19:50:23 GMT 2023
PRIMARY
CHEBI
35430
Created by admin on Fri Dec 15 19:50:23 GMT 2023 , Edited by admin on Fri Dec 15 19:50:23 GMT 2023
PRIMARY
ECHA (EC/EINECS)
225-005-7
Created by admin on Fri Dec 15 19:50:23 GMT 2023 , Edited by admin on Fri Dec 15 19:50:23 GMT 2023
PRIMARY
CHEBI
45698
Created by admin on Fri Dec 15 19:50:23 GMT 2023 , Edited by admin on Fri Dec 15 19:50:23 GMT 2023
PRIMARY
CAS
4604-41-5
Created by admin on Fri Dec 15 19:50:23 GMT 2023 , Edited by admin on Fri Dec 15 19:50:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID80196697
Created by admin on Fri Dec 15 19:50:23 GMT 2023 , Edited by admin on Fri Dec 15 19:50:23 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
Related Record Type Details
PARENT -> METABOLITE INACTIVE
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP