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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H17I4NO4
Molecular Weight 818.9498
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=LWZCMKGGFONJPB-SFHVURJKSA-N
InChI=1S/C18H17I4NO4/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/t18-/m0/s1

HIDE SMILES / InChI

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 11:18:43 GMT 2023
Edited
by admin
on Sat Dec 16 11:18:43 GMT 2023
Record UNII
RXO5591D6F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETIROXATE, (S)-
Common Name English
L-TYROSINE, O-(4-HYDROXY-3,5-DIIODOPHENYL)-3,5-DIIODO-.ALPHA.-METHYL-, ETHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
22804864
Created by admin on Sat Dec 16 11:18:44 GMT 2023 , Edited by admin on Sat Dec 16 11:18:44 GMT 2023
PRIMARY
CAS
35530-07-5
Created by admin on Sat Dec 16 11:18:44 GMT 2023 , Edited by admin on Sat Dec 16 11:18:44 GMT 2023
PRIMARY
FDA UNII
RXO5591D6F
Created by admin on Sat Dec 16 11:18:44 GMT 2023 , Edited by admin on Sat Dec 16 11:18:44 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER