IOCETAMIC ACID

US Previously Marketed

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H13I3N2O3
Molecular Weight	613.9566
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(CN(C(C)=O)C1=C(I)C(N)=C(I)C=C1I)C(O)=O

InChI

InChIKey=GSVQIUGOUKJHRC-UHFFFAOYSA-N

InChI=1S/C12H13I3N2O3/c1-5(12(19)20)4-17(6(2)18)11-8(14)3-7(13)10(16)9(11)15/h3,5H,4,16H2,1-2H3,(H,19,20)

HIDE SMILES / InChI

Molecular Formula	C12H13I3N2O3
Molecular Weight	613.9566
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: http://www.acs.org/content/acs/en/molecule-of-the-week/archive/i/molecule-of-the-week-iocetamic-acid.html

Iocetamic acid is a medical diagnostic aid. It is a contrast agent used to enhance structures or fluids during X-ray imaging.

Originator

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Gallbladder disease 13 Sources: http://www.ncbi.nlm.nih.gov/pubmed/152180	Diagnostic		Approved 8429	CHOLEBRINE Approved Use Unknown

T_1/2

Value	Dose	Co-administered	Analyte	Population
20 h OTHER https://www.drugs.com/mmx/iocetamic-acid.html#citec00114201	750 mg single, oral dose: 750 mg route of administration: Oral experiment type: SINGLE co-administered:		IOCETAMIC ACID plasma	Homo sapiens population: UNKNOWN age: UNKNOWN sex: UNKNOWN food status: UNKNOWN

F_unbound

Value	Dose	Co-administered	Analyte	Population
1% OTHER https://www.drugs.com/mmx/iocetamic-acid.html#citec00114201	750 mg single, oral dose: 750 mg route of administration: Oral experiment type: SINGLE co-administered:		IOCETAMIC ACID plasma	Homo sapiens population: UNKNOWN age: UNKNOWN sex: UNKNOWN food status: UNKNOWN

Doses

Dose	Population	Adverse events
3 g 2 times / day multiple, oral Highest studied dose Dose: 3 g, 2 times / day Route: oral Route: multiple Dose: 3 g, 2 times / day Sources: https://pubmed.ncbi.nlm.nih.gov/152180	unhealthy, adult n = 48 Health Status: unhealthy Age Group: adult Sex: M+F Population Size: 48 Sources: https://pubmed.ncbi.nlm.nih.gov/152180	Other AEs: Ankle swelling, Feeling of warmth... Other AEs: Ankle swelling (6 patients) Feeling of warmth (10 patients) Chest pain (4 patients) Headache (14 patients) Paraesthesia (6 patients) Dizziness (10 patients) Sources: https://pubmed.ncbi.nlm.nih.gov/152180
3 g 2 times / day multiple, oral Highest studied dose Dose: 3 g, 2 times / day Route: oral Route: multiple Dose: 3 g, 2 times / day Sources: https://pubmed.ncbi.nlm.nih.gov/152180	unhealthy, adult n = 49 Health Status: unhealthy Age Group: adult Sex: M+F Population Size: 49 Sources: https://pubmed.ncbi.nlm.nih.gov/152180	Other AEs: Vomiting, Nausea... Other AEs: Vomiting (1 patient) Nausea (14 patients) Watery diarrhoea (1 patient) Loose bowels (3 patients) Abdominal pain (12 patients) Eructation (19 patients) Flatus (15 patients) Nocturia (21 patient) Discolouration urine (5 patients) Itchy skin (3 patients) Blister (2 patients) Skin rash (1 patient) Bruising (2 patients) Wheezing (9 patients) Breathlessness (9 patients) Nocturnal dyspnoea (3 patients) Sources: https://pubmed.ncbi.nlm.nih.gov/152180
4.5 g single, oral Highest studied dose Dose: 4.5 g Route: oral Route: single Dose: 4.5 g Sources: https://pubmed.ncbi.nlm.nih.gov/129790	unhealthy n = 1 Health Status: unhealthy Population Size: 1 Sources: https://pubmed.ncbi.nlm.nih.gov/129790	Disc. AE: Skin infection... AEs leading to discontinuation/dose reduction: Skin infection (severe, 1 patient) Sources: https://pubmed.ncbi.nlm.nih.gov/129790
3 g single, oral Dose: 3 g Route: oral Route: single Dose: 3 g Sources: https://pubmed.ncbi.nlm.nih.gov/129790	unhealthy n = 2 Health Status: unhealthy Population Size: 2 Sources: https://pubmed.ncbi.nlm.nih.gov/129790	Disc. AE: Skin infection... AEs leading to discontinuation/dose reduction: Skin infection (2 patients) Sources: https://pubmed.ncbi.nlm.nih.gov/129790

AEs

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY528434	https://www.001chemical.com/chem/16034-77-8
ABI Chem	AC1L1DNS
Alfa Chemistry	16034-77-8
Ambinter	Amb22489954	http://www.ambinter.com/reference/22489954
BLD Pharm	BD134734	http://www.bldpharm.com/products/16034-77-8.html
BOC Sciences	16034-77-8
Chemieliva Pharmaceutical Co., Ltd	PBCM1203784
Compound Cloud	27648
Molcore	MC528434	https://www.molcore.com/product/16034-77-8
MuseChem	M078813
NovoSeek	27648
Smolecule	S599961	https://www.smolecule.com/products/s599961
Tetrahedron	TS75035
ZINC	ZINC000003830931	http://zinc15.docking.org/substances/ZINC000003830931
ZINC	ZINC000003830932	http://zinc15.docking.org/substances/ZINC000003830932
eMolecules	36553112
eNovation Chemicals	D131771	https://www.enovationchem.com/ProductDetails.asp?ProductID=D131771

Patents

Sample Use Guides

In Vivo Use Guide

Administer 750 mg on the examination day.

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:17:43 UTC 2023` Edited by `admin` on `Fri Dec 15 16:17:43 UTC 2023`
Record UNII	FA675Q0E3E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IOCETAMIC ACID

Official Name

English

MP-620

Code

English

N-Acetyl-N-(3-amino-2,4,6-triiodophenyl)-2-methyl-β-alanine

Systematic Name

English

IOCETAMIC ACID [HSDB]

Common Name

English

CHOLEBRINE

Brand Name

English

IOCETAMIC ACID [VANDF]

Common Name

English

IOCETAMIC ACID [ORANGE BOOK]

Common Name

English

PROPANOIC ACID, 3-(ACETYL(3-AMINO-2,4,6-TRIIODOPHENYL)AMINO)-2-METHYL-

Common Name

English

IOCETAMIC ACID [MART.]

Common Name

English

iocetamic acid [INN]

Common Name

English

Iocetamic acid [WHO-DD]

Common Name

English

IOCETAMIC ACID [MI]

Common Name

English

IOCETAMIC ACID [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C28500