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Details

Stereochemistry ACHIRAL
Molecular Formula C7H5I2NO3.C4H11NO2
Molecular Weight 506.0644
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IODOPYRACET I-125

SMILES

OCCNCCO.OC(=O)CN1C=C([125I])C(=O)C([125I])=C1

InChI

InChIKey=RERHJVNYJKZHLJ-QWLQROHJSA-N
InChI=1S/C7H5I2NO3.C4H11NO2/c8-4-1-10(3-6(11)12)2-5(9)7(4)13;6-3-1-5-2-4-7/h1-2H,3H2,(H,11,12);5-7H,1-4H2/i8-2,9-2;

HIDE SMILES / InChI

Molecular Formula C7H5I2NO3
Molecular Weight 400.9287
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H11NO2
Molecular Weight 105.1356
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:27:13 GMT 2023
Edited
by admin
on Sat Dec 16 05:27:13 GMT 2023
Record UNII
2T37YL9546
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IODOPYRACET I-125
Common Name English
IODOPYRACET I 125 [USAN]
Common Name English
ETHANOL, 2,2'-IMINOBIS-, 3,5-DI(IODO-125I)-4-OXO-1(4H)-PYRIDINEACETATE (SALT)
Common Name English
IODOPYRACET I 125
USAN  
USAN  
Official Name English
1(4H)-PYRIDINEACETIC ACID, 3,5-DI(IODO-125I)-4-OXO-, COMPD. WITH 2,2'-IMINOBIS(ETHANOL) (1:1)
Common Name English
3,5-DIIODO-125I-4-OXO-1(4H)-PYRIDINEACETIC ACID, COMPOUND WITH 2,2'-IMINODIETHANOL (1:1)
Common Name English
Code System Code Type Description
PUBCHEM
23724925
Created by admin on Sat Dec 16 05:27:13 GMT 2023 , Edited by admin on Sat Dec 16 05:27:13 GMT 2023
PRIMARY
CAS
78308-51-7
Created by admin on Sat Dec 16 05:27:13 GMT 2023 , Edited by admin on Sat Dec 16 05:27:13 GMT 2023
PRIMARY
NCI_THESAURUS
C166590
Created by admin on Sat Dec 16 05:27:13 GMT 2023 , Edited by admin on Sat Dec 16 05:27:13 GMT 2023
PRIMARY
FDA UNII
2T37YL9546
Created by admin on Sat Dec 16 05:27:13 GMT 2023 , Edited by admin on Sat Dec 16 05:27:13 GMT 2023
PRIMARY
ChEMBL
CHEMBL2110615
Created by admin on Sat Dec 16 05:27:13 GMT 2023 , Edited by admin on Sat Dec 16 05:27:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID70228971
Created by admin on Sat Dec 16 05:27:13 GMT 2023 , Edited by admin on Sat Dec 16 05:27:13 GMT 2023
PRIMARY