IOTROXIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H18I6N2O9
Molecular Weight	1215.8131
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of IOTROXIC ACID

Structure Search

SMILES

OC(=O)C1=C(I)C=C(I)C(NC(=O)COCCOCCOCC(=O)NC2=C(I)C=C(I)C(C(O)=O)=C2I)=C1I

InChI

InChIKey=JXMIBUGMYLQZGO-UHFFFAOYSA-N

InChI=1S/C22H18I6N2O9/c23-9-5-11(25)19(17(27)15(9)21(33)34)29-13(31)7-38-3-1-37-2-4-39-8-14(32)30-20-12(26)6-10(24)16(18(20)28)22(35)36/h5-6H,1-4,7-8H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36)

HIDE SMILES / InChI

Molecular Formula	C22H18I6N2O9
Molecular Weight	1215.8131
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 16:37:16 UTC 2023` Edited by `admin` on `Fri Dec 15 16:37:16 UTC 2023`
Record UNII	84C5PTP9X6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IOTROXIC ACID

Official Name

English

3,3'-(3,6,9-TRIOXAUNDECANEDIOYLDIAMINO)BIS(2,4,6-TRIIODOBENZOIC ACID)

Common Name

English

BILISCOPIN

Brand Name

English

IOTROXIC ACID [USAN]

Common Name

English

SH-213 AB

Code

English

IOTROXIC ACID [JAN]

Common Name

English

iotroxic acid [INN]

Common Name

English

SH-213AB

Code

English

3,3'-(OXYBIS(ETHYLENEOXYMETHYLENECARBONYLIMINO))BIS(2,4,6-TRIIODOBENZOIC ACID)

Common Name

English

BENZOIC ACID, 3,3'-(OXYBIS(2,1-ETHANEDIYLOXY(1-OXO-2,1-ETHANEDIYL)IMINO))BIS(2,4,6, TRIIODO-

Common Name

English

SH 213 AB

Code

English

IOTROXIC ACID [WHO-IP]

Common Name

English

IOTROXIC ACID [MART.]

Common Name

English

ACIDUM IOTROXICUM [WHO-IP LATIN]

Common Name

English

Iotroxic acid [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C28500

Created by admin on Fri Dec 15 16:37:16 UTC 2023 , Edited by admin on Fri Dec 15 16:37:16 UTC 2023

WHO-VATC

QV08AC02

Created by admin on Fri Dec 15 16:37:16 UTC 2023 , Edited by admin on Fri Dec 15 16:37:16 UTC 2023

WHO-ATC

V08AC02

Created by admin on Fri Dec 15 16:37:16 UTC 2023 , Edited by admin on Fri Dec 15 16:37:16 UTC 2023

Code System Code Type Description

WIKIPEDIA

Iotroxic acid

Created by admin on Fri Dec 15 16:37:16 UTC 2023 , Edited by admin on Fri Dec 15 16:37:16 UTC 2023

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ChEMBL

CHEMBL1651905

Created by admin on Fri Dec 15 16:37:16 UTC 2023 , Edited by admin on Fri Dec 15 16:37:16 UTC 2023

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PUBCHEM

3740

Created by admin on Fri Dec 15 16:37:16 UTC 2023 , Edited by admin on Fri Dec 15 16:37:16 UTC 2023

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SMS_ID

100000083115

Created by admin on Fri Dec 15 16:37:16 UTC 2023 , Edited by admin on Fri Dec 15 16:37:16 UTC 2023

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FDA UNII

84C5PTP9X6

Created by admin on Fri Dec 15 16:37:16 UTC 2023 , Edited by admin on Fri Dec 15 16:37:16 UTC 2023

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INN

3652

Created by admin on Fri Dec 15 16:37:16 UTC 2023 , Edited by admin on Fri Dec 15 16:37:16 UTC 2023

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EVMPD

SUB08261MIG

Created by admin on Fri Dec 15 16:37:16 UTC 2023 , Edited by admin on Fri Dec 15 16:37:16 UTC 2023

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CAS

51022-74-3

Created by admin on Fri Dec 15 16:37:16 UTC 2023 , Edited by admin on Fri Dec 15 16:37:16 UTC 2023

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DRUG BANK

DB08945

Created by admin on Fri Dec 15 16:37:16 UTC 2023 , Edited by admin on Fri Dec 15 16:37:16 UTC 2023

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NCI_THESAURUS

C72080

Created by admin on Fri Dec 15 16:37:16 UTC 2023 , Edited by admin on Fri Dec 15 16:37:16 UTC 2023

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DRUG CENTRAL

3991

Created by admin on Fri Dec 15 16:37:16 UTC 2023 , Edited by admin on Fri Dec 15 16:37:16 UTC 2023

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EPA CompTox

DTXSID3048782

Created by admin on Fri Dec 15 16:37:16 UTC 2023 , Edited by admin on Fri Dec 15 16:37:16 UTC 2023

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WHO INTERNATIONAL PHARMACOPEIA

IOTROXIC ACID

Created by admin on Fri Dec 15 16:37:16 UTC 2023 , Edited by admin on Fri Dec 15 16:37:16 UTC 2023

PRIMARY

Description: An almost white powder. Solubility: Practically insoluble in water, benzene R, and ether R; freely soluble in methanol R and dimethylformamide R; dissolves in solutions of alkali hydroxides. Category: Used in the preparation of meglumine iotroxate as a radiocontrast medium. Storage: Iotroxic acid should be kept in a well-closed container, protected from light. Requirements: Iotroxic acid contains not less than 98.0% and not more than the equivalent of 102.0% of C22H18I6N2O9, calculated with reference to the anhydrous substance.

ECHA (EC/EINECS)

256-917-3

Created by admin on Fri Dec 15 16:37:16 UTC 2023 , Edited by admin on Fri Dec 15 16:37:16 UTC 2023

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					389136RRO0

IOTROXATE MEGLUMINE

SALT/SOLVATE -> PARENT

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					84C5PTP9X6

ACTIVE MOIETY