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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

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H17I4NO4
Molecular Weight 818.9498
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 09:55:23 GMT 2023
Edited
by admin
on Sat Dec 16 09:55:23 GMT 2023
Record UNII
5ZHS03W9G1
Record Status Validated (UNII)
Record Version
  • Download
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)-
Systematic Name English
Code System Code Type Description
FDA UNII
5ZHS03W9G1
Created by admin on Sat Dec 16 09:55:23 GMT 2023 , Edited by admin on Sat Dec 16 09:55:23 GMT 2023
PRIMARY
PUBCHEM
76970700
Created by admin on Sat Dec 16 09:55:23 GMT 2023 , Edited by admin on Sat Dec 16 09:55:23 GMT 2023
PRIMARY
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