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Details

Stereochemistry ACHIRAL
Molecular Formula C13H12INO5
Molecular Weight 387.1427
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3-(4-HYDROXY-3-IODO-PHENYL)-1-OXOPROPOXY)-2,5-PYRROLIDINEDIONE, I-125

SMILES

OC1=C([125I])C=C(CCC(=O)ON2C(=O)CCC2=O)C=C1

InChI

InChIKey=JITCCUITUOPXAR-XSBOKVBDSA-N
InChI=1S/C13H12INO5/c14-9-7-8(1-3-10(9)16)2-6-13(19)20-15-11(17)4-5-12(15)18/h1,3,7,16H,2,4-6H2/i14-2

HIDE SMILES / InChI

Molecular Formula C13H12INO5
Molecular Weight 387.1427
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:22:14 GMT 2023
Edited
by admin
on Fri Dec 15 19:22:14 GMT 2023
Record UNII
S50T0M3E5Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(3-(4-HYDROXY-3-IODO-PHENYL)-1-OXOPROPOXY)-2,5-PYRROLIDINEDIONE, I-125
Common Name English
BOLTON-HUNTER REAGENT
Common Name English
2,5-PYRROLIDINEDIONE, 1-(3-(4-HYDROXY-3-(IODO-125I)PHENYL)-1-OXOPROPOXY)-
Systematic Name English
Code System Code Type Description
FDA UNII
S50T0M3E5Y
Created by admin on Fri Dec 15 19:22:14 GMT 2023 , Edited by admin on Fri Dec 15 19:22:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID70983659
Created by admin on Fri Dec 15 19:22:14 GMT 2023 , Edited by admin on Fri Dec 15 19:22:14 GMT 2023
PRIMARY
CAS
65114-37-6
Created by admin on Fri Dec 15 19:22:14 GMT 2023 , Edited by admin on Fri Dec 15 19:22:14 GMT 2023
PRIMARY
PUBCHEM
123813
Created by admin on Fri Dec 15 19:22:14 GMT 2023 , Edited by admin on Fri Dec 15 19:22:14 GMT 2023
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED