ACETRIZOATE SODIUM

US Previously Marketed

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H5I3NO3.Na
Molecular Weight	578.8441
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CC(=O)NC1=C(I)C=C(I)C(C([O-])=O)=C1I

InChI

InChIKey=UCPVOMHRDXMAIZ-UHFFFAOYSA-M

InChI=1S/C9H6I3NO3.Na/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16;/h2H,1H3,(H,13,14)(H,15,16);/q;+1/p-1

HIDE SMILES / InChI

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

Molecular Formula	C9H5I3NO3
Molecular Weight	555.8543
Charge	-1
Count

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

Description
Sources: https://www.drugs.com/pro/gastrografin.html
Curator's Comment: description was created based on several sources, including http://www.tabletwise.com/brazil/urografina-solution | https://clinicaltrials.gov/ct2/show/NCT01440712 | https://clinicaltrials.gov/ct2/show/NCT01515696 | https://clinicaltrials.gov/ct2/show/NCT00601809

Acetrizoic acid (trade names Gastrografina, Urografina in Portugal) is a palatable lemon-flavored water-soluble iodinated radiopaque X-ray contrast medium for oral or rectal administration only. Acetrizoic acid is indicated for radiographic examination of segments of the gastrointestinal tract (esophagus, stomach, proximal small intestine, and colon). The preparation is particularly indicated when a more viscous agent such as barium sulfate, which is not water-soluble, is not feasible or is potentially dangerous. Administration of hypertonic Gastrografin solutions may lead to hypovolemia and hypotension due to fluid loss from the intestine.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Solute carrier organic anion transporter family member 1B1 32 Target ID: CHEMBL1697668 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23571415	Activator 1430

Conditions

Condition	Modality	Highest Phase	Product
Postoperative ileus 7 Sources: https://clinicaltrials.gov/ct2/show/NCT01440712	Diagnostic	Approved 8429	Gastrografina Approved Use Unknown
Meconium ileus 2 Sources: https://clinicaltrials.gov/ct2/show/NCT01515696	Diagnostic	Approved 8429	Gastrografina Approved Use Unknown
Adhesive small intestine obstruction 2 Sources: https://clinicaltrials.gov/ct2/show/NCT00601809	Diagnostic	Approved 8429	Gastrografina Approved Use Unknown

C_max

Value	Dose	Co-administered	Analyte	Population
248 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/2524207/	50 mg single, oral dose: 50 mg route of administration: Oral experiment type: SINGLE co-administered:		ACETRIZOIC ACID plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: MALE food status: FASTED
416 ng/mL DRUG LABEL https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/019821s028lbl.pdf	50 mg single, oral dose: 50 mg route of administration: Oral experiment type: SINGLE co-administered:		ACETRIZOIC ACID plasma	Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: UNKNOWN

AUC

Value	Dose	Co-administered	Analyte	Population
1342 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/2524207/	50 mg single, oral dose: 50 mg route of administration: Oral experiment type: SINGLE co-administered:		ACETRIZOIC ACID plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: MALE food status: FASTED

T_1/2

Value	Dose	Co-administered	Analyte	Population
2.3 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/2524207/	50 mg single, oral dose: 50 mg route of administration: Oral experiment type: SINGLE co-administered:		ACETRIZOIC ACID plasma	Homo sapiens population: UNHEALTHY age: ADULT sex: MALE food status: FASTED

F_unbound

Value	Dose	Co-administered	Analyte	Population
0.1% DRUG LABEL https://www.accessdata.fda.gov/drugsatfda_docs/label/2017/019821s028lbl.pdf	50 mg single, oral dose: 50 mg route of administration: Oral experiment type: SINGLE co-administered:		ACETRIZOIC ACID plasma	Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: UNKNOWN

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY574437	https://www.001chemical.com/chem/85-36-9
3B Scientific (Wuhan) Corp	3B3-013565	http://www.3bsc.com/index/pro_info.php?id=36065
AA Blocks	AA003NKU	https://www.aablocks.com/goods/Goods/detail?id=AA003NKU
AHH Chemical co.,ltd	MT-31562	http://www.ahhchemical.com/product/MT-31562.html
Aaron Chemicals	AR003OCM	http://www.aaronchem.com/85-36-9
AbMole Bioscience	M5384	http://www.abmole.com/products/acetrizoic-acid.html
Achemo Scientific Limited	AC-103921	http://www.achemo.com/search/?Keyword=85-36-9
Alichem	19149743	http://www.alichem.com/en/products/85-36-9.html
Ambeed	A236609	https://www.ambeed.com/products/85-36-9.html
Angel Pharmatech	AG125945	http://www.angelpharmatech.com/85-36-9.html
Angene	AGN-PC-0JK7RJ	http://www.angenechemical.com/productshow/AGN-PC-0JK7RJ.html
Aurora Fine Chemicals LLC	A30.256.515	http://online.aurorafinechemicals.com/info?ID=A30.256.515
BLD Pharm	BD7307	http://www.bldpharm.com/products/85-36-9.html
CSNpharm	CSN18772	https://www.csnpharm.com/products/acetrizoic-acid.html
Chem Scene	CS-4861	http://www.chemscene.com/85-36-9.html
ChemMol	49426098	http://www.chemmol.com/chemmol/49426098.html
Chemspace	CSSB00000038361	https://chem-space.com/CSSB00000038361
Debye Scientific	DB-019835	http://www.debyesci.com/DB-019835.html
Finetech	FT-0621816	http://www.finetechnology-ind.com/prod/detail/pub/85-36-9.html
Lab Network	LN01343380	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN01343380
MedChem Express	HY-B1406	https://www.medchemexpress.com/Acetrizoic-acid.html
Molcore	MC574437	https://www.molcore.com/product/85-36-9
MuseChem	I005124	https://www.musechem.com/product/I005124.html
OChem	11990	http://www.ocheminc.com/index.php?act=psearch&pid=085A369
Smolecule	S516989	http://www.smolecule.com/products/s516989
TCI (Tokyo Chemical Industry)	A0858	http://www.tcichemicals.com/eshop/en/us/commodity/A0858/index.html
THE BioTek	bt-257121	https://www.thebiotek.com/product/inhibitors/bt-257121
abcr GmbH	AB135614	http://www.abcr.com/shop/en/AB135614
eNovation Chemicals	D670660	https://www.enovationchem.com/ProductDetails.asp?ProductID=D670660
iChemical	EBD1064	http://www.ichemical.com/products/85-36-9.html?utm_source=PubChem&utm_medium=website&utm_campaign=product%20catalogs

PubMed

Title	Date	PubMed
TABAC.	1950 Jul-Aug	14772699

Patents

Sample Use Guides

In Vivo Use Guide

Adult oral dosage may range from 30 to 90 mL (11 to 33 g iodine), depending on the nature of the examination and the size of the patient. For infants and children less than 5 years of age, 30 mL (11 g iodine) are usually adequate; for children 5 to 10 years of age, the suggested dose is 60 mL (22 g iodine).

Route of Administration: Oral

In Vitro Use Guide

Blood was taken from the femoral artery of heparinized dogs (heparin 500 I.U./kg I.V.). Immediately after collection, the blood samples were incubated for 45 sec. at 37 C with the solutions of the ACETRIZOIC ACID;the final concentrations of the contrast media in the incubation medium were 220 mM. This was done by adding to aliquots of whole blood the solutions oЈ contrast media, which were hyperosmolar to plasma (2200 mOsm).

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:32:54 GMT 2023` Edited by `admin` on `Sat Dec 16 17:32:54 GMT 2023`
Record UNII	5GF4B2I1DD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACETRIZOATE SODIUM

Common Name

English

ACETRIZOATE SODIUM SALT

Common Name

English

ACETRIZOIC ACID SODIUM SALT [MI]

Common Name

English

SODIUM ACETRIZOATE

Official Name

English

SODIUM 3-ACETAMIDO-2,4,6-TRIIODOBENZOATE

Systematic Name

English

ACETRIZOATE SODIUM [ORANGE BOOK]

Common Name

English

SALPIX

Brand Name

English

sodium acetrizoate [INN]

Common Name

English

Sodium acetrizoate [WHO-DD]

Common Name

English

SODIUM ACETRIZOATE [MART.]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C390