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Details

Stereochemistry ACHIRAL
Molecular Formula C11H8I3N2O4.Na
Molecular Weight 647.9004
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIATRIZOATE SODIUM I-131

SMILES

[Na+].CC(=O)NC1=C([131I])C(C([O-])=O)=C([131I])C(NC(C)=O)=C1[131I]

InChI

InChIKey=ZEYOIOAKZLALAP-KYJPGBFZSA-M
InChI=1S/C11H9I3N2O4.Na/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;/h1-2H3,(H,15,17)(H,16,18)(H,19,20);/q;+1/p-1/i12+4,13+4,14+4;

HIDE SMILES / InChI

Approval Year

Name Type Language
DIATRIZOATE SODIUM I 131
USAN  
USAN  
Preferred Name English
DIATRIZOATE SODIUM I-131
Common Name English
DIATRIZOATE SODIUM I 131 [USAN]
Common Name English
BENZOIC ACID, 3,5-BIS(ACETYLAMINO)-2,4,6-TRIIODO-, MONOSODIUM SALT, LABELED WITH IODINE-131
Common Name English
Monosodium 3,5-diacetamido-2,4,6-triiodobenzoate, labeled with iodine-131
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2124
Created by admin on Mon Mar 31 18:19:53 GMT 2025 , Edited by admin on Mon Mar 31 18:19:53 GMT 2025
Code System Code Type Description
PUBCHEM
23664887
Created by admin on Mon Mar 31 18:19:53 GMT 2025 , Edited by admin on Mon Mar 31 18:19:53 GMT 2025
PRIMARY
ChEMBL
CHEMBL1201220
Created by admin on Mon Mar 31 18:19:53 GMT 2025 , Edited by admin on Mon Mar 31 18:19:53 GMT 2025
PRIMARY
CAS
16592-07-7
Created by admin on Mon Mar 31 18:19:53 GMT 2025 , Edited by admin on Mon Mar 31 18:19:53 GMT 2025
ALTERNATIVE
NCI_THESAURUS
C83668
Created by admin on Mon Mar 31 18:19:53 GMT 2025 , Edited by admin on Mon Mar 31 18:19:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID90164004
Created by admin on Mon Mar 31 18:19:53 GMT 2025 , Edited by admin on Mon Mar 31 18:19:53 GMT 2025
PRIMARY
SMS_ID
300000055424
Created by admin on Mon Mar 31 18:19:53 GMT 2025 , Edited by admin on Mon Mar 31 18:19:53 GMT 2025
PRIMARY
CAS
14855-77-7
Created by admin on Mon Mar 31 18:19:53 GMT 2025 , Edited by admin on Mon Mar 31 18:19:53 GMT 2025
PRIMARY
FDA UNII
4T76D71T6U
Created by admin on Mon Mar 31 18:19:53 GMT 2025 , Edited by admin on Mon Mar 31 18:19:53 GMT 2025
PRIMARY