DIATRIZOATE SODIUM I-131

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NCATS

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

Structure Search

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

Molecular Formula	C11H8I3N2O4
Molecular Weight	624.9106
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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 16:07:50 GMT 2023` Edited by `admin` on `Fri Dec 15 16:07:50 GMT 2023`
Record UNII	4T76D71T6U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIATRIZOATE SODIUM I-131

Common Name

English

DIATRIZOATE SODIUM I 131

Official 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 Fri Dec 15 16:07:50 GMT 2023 , Edited by admin on Fri Dec 15 16:07:50 GMT 2023

Code System Code Type Description

PUBCHEM

23664887

Created by admin on Fri Dec 15 16:07:50 GMT 2023 , Edited by admin on Fri Dec 15 16:07:50 GMT 2023

PRIMARY

ChEMBL

CHEMBL1201220

Created by admin on Fri Dec 15 16:07:50 GMT 2023 , Edited by admin on Fri Dec 15 16:07:50 GMT 2023

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CAS

16592-07-7

Created by admin on Fri Dec 15 16:07:50 GMT 2023 , Edited by admin on Fri Dec 15 16:07:50 GMT 2023

ALTERNATIVE

NCI_THESAURUS

C83668

Created by admin on Fri Dec 15 16:07:50 GMT 2023 , Edited by admin on Fri Dec 15 16:07:50 GMT 2023

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EPA CompTox

DTXSID90164004

Created by admin on Fri Dec 15 16:07:50 GMT 2023 , Edited by admin on Fri Dec 15 16:07:50 GMT 2023

PRIMARY

CAS

14855-77-7

Created by admin on Fri Dec 15 16:07:50 GMT 2023 , Edited by admin on Fri Dec 15 16:07:50 GMT 2023

PRIMARY

FDA UNII

4T76D71T6U

Created by admin on Fri Dec 15 16:07:50 GMT 2023 , Edited by admin on Fri Dec 15 16:07:50 GMT 2023

PRIMARY

Related Record Type Details


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DIATRIZOIC ACID I-131

ACTIVE MOIETY