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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H17I4NO4.ClH
Molecular Weight 855.411
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETIROXATE HYDROCHLORIDE, (S)-

SMILES

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

InChI

InChIKey=YKFOTONIBHUPOM-FERBBOLQSA-N
InChI=1S/C18H17I4NO4.ClH/c1-3-26-17(25)18(2,23)8-9-4-13(21)16(14(22)5-9)27-10-6-11(19)15(24)12(20)7-10;/h4-7,24H,3,8,23H2,1-2H3;1H/t18-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ETIROXATE HYDROCHLORIDE, (S)-
Common Name English
TYROSINE, O-(4-HYDROXY-3,5-DIIODOPHENYL)-3,5-DIIODO-.ALPHA.-METHYL-, ETHYL ESTER, HYDROCHLORIDE, (S)-
Preferred Name English
Code System Code Type Description
FDA UNII
5ZHS03W9G1
Created by admin on Mon Mar 31 22:54:59 GMT 2025 , Edited by admin on Mon Mar 31 22:54:59 GMT 2025
PRIMARY
PUBCHEM
76970700
Created by admin on Mon Mar 31 22:54:59 GMT 2025 , Edited by admin on Mon Mar 31 22:54:59 GMT 2025
PRIMARY