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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H11ClI3NO4
Molecular Weight 685.419
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-AMINO-3-(4-(3-CHLORO-4-HYDROXY-5-IODOPHENOXY)-3,5-DIIODOPHENYL)PROPANOIC ACID, (2S)-

SMILES

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

InChI

InChIKey=MQUDMFHNJQNOJT-LBPRGKRZSA-N
InChI=1S/C15H11ClI3NO4/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)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H11ClI3NO4
Molecular Weight 685.419
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 Sat Dec 16 00:36:04 GMT 2023
Edited
by admin
on Sat Dec 16 00:36:04 GMT 2023
Record UNII
SY87G5ZM3E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-AMINO-3-(4-(3-CHLORO-4-HYDROXY-5-IODOPHENOXY)-3,5-DIIODOPHENYL)PROPANOIC ACID, (2S)-
Common Name English
LEVOTHYROXINE SODIUM IMPURITY B [EP IMPURITY]
Common Name English
(2S)-2-AMINO-3-(4-(3-CHLORO-4-HYDROXY-5-IODOPHENOXY)-3,5-DIIODOPHENYL)PROPANOIC ACID
Systematic Name English
3'-MONOCHLOROTRIIODOTHYRONIN
Systematic Name English
Code System Code Type Description
FDA UNII
SY87G5ZM3E
Created by admin on Sat Dec 16 00:36:05 GMT 2023 , Edited by admin on Sat Dec 16 00:36:05 GMT 2023
PRIMARY
PUBCHEM
54086387
Created by admin on Sat Dec 16 00:36:05 GMT 2023 , Edited by admin on Sat Dec 16 00:36:05 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
UNSPECIFIED
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP