IOTHIOURACIL SODIUM

US Previously Marketed

First approved in 1951

Details

Stereochemistry	ACHIRAL
Molecular Formula	C4H2IN2OS.Na
Molecular Weight	276.031
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].IC1=CNC(=S)[N-]C1=O

InChI

InChIKey=IOCJWKUNNXDZIX-UHFFFAOYSA-M

InChI=1S/C4H3IN2OS.Na/c5-2-1-6-4(9)7-3(2)8;/h1H,(H2,6,7,8,9);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

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

Molecular Formula	C4H3IN2OS
Molecular Weight	254.049
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/13126529 | https://www.ncbi.nlm.nih.gov/pubmed/14873770 | https://www.ncbi.nlm.nih.gov/pubmed/1422195

IOTHIOURACIL, in a form of sodium salt, was used as an antithyroid agent in the treatment of hyperthyroidism. It is selectively incorporated into the melanin pigment of melanomas during biosynthesis by serving as false melanin precursors. Radiolabelled (125I) IOTHIOURACIL may be used as a radiopharmaceutical for diagnosis and therapy of melanotic melanomas.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
melanin biosynthetic process from tyrosine 3 Target ID: GO:0006583 Sources: https://www.ncbi.nlm.nih.gov/pubmed/3723191	Substrate 661

Conditions

Condition	Modality	Targets	Highest Phase	Product
Hyperthyroidism 13 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17738589	Primary		Approved 8583	Itrumil Approved Use Itrumil is an antithyroid agent Launch Date 1951

Sourcing

Vendor/Aggregator	ID	URL
Acadechem	ACDS-053862	http://www.acadechemical.com/product/128561
Achemo Scientific Limited	AC-94830	http://www.achemo.com/search/?Keyword=5984-97-4
AK Scientific, Inc. (AKSCI)	8915AB	http://www.aksci.com/item_detail.php?cat=8915AB
Ambinter	Amb22002564	http://www.ambinter.com/reference/22002564
Aurora Fine Chemicals LLC	A13.111.999	http://online.aurorafinechemicals.com/info?ID=A13.111.999
BLD Pharm	BD134783	http://www.bldpharm.com/products/5984-97-4.html
ChemMol	99098388	http://www.chemmol.com/chemmol/99098388.html
eNovation Chemicals	D279989	https://www.enovationchem.com/ProductDetails.asp?ProductID=D279989
Iodochem	ID1267	https://www.iodochem.com/product/5984-97-4
Matrix Scientific	99508	https://www.matrixscientific.com/099508.html
Sigma-Aldrich	CDS024939_ALDRICH	https://www.sigmaaldrich.com/catalog/product/aldrich/cds024939?utm_source=pubchem&utm_campaign=pubchem_2017&utm_medium=referral
Sinfoo Biotech	S038205	http://www.sinfoobiotech.com/product/1041603
Smolecule	S530743	http://www.smolecule.com/products/s530743
THE BioTek	bt-271791	https://www.thebiotek.com/product/inhibitors/bt-271791

PubMed

Title	Date	PubMed
Direct electrophilic iodination of 2-thiouracil using Iodo-Gen.	1989	2559065
A patient study with radioiodine labelled 5-iodo-2-thiouracil.	1988	3243315
Radio-iodine-labelled 5-iodo-2-thiouracil: a potential radiopharmaceutical for establishing the viability of ocular melanoma after radiation therapy.	1986-11	3554049
Thyroid hormones stimulate the release of hepatic lipase from cultured rat hepatocytes.	1986-02	2422102
Thioamides as false melanin precursors: studies in murine melanomas.	1983-02	6846022
Potential radiopharmaceuticals for the detection of ocular melanoma. Part I. 5-iodo-2-thiouracil derivatives.	1983	6840126
Iodothiouracil in treatment of toxic goitre.	1954-02-20	13126529
Therapeutic studies in hyperthyroidism: sodium 5-iodo-2-thiouracil.	1951-09	14873770
The antithyroid action of 5-iodothiouracil, 6-methyl-5-iodothiouracil, thiocytosine and (Ca) 4-n-propyl 6-oxypyrimidyl-2-mercaptoacetic acid.	1949-09	18139324

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:19:01 GMT 2025` Edited by `admin` on `Mon Mar 31 19:19:01 GMT 2025`
Record UNII	Y3779XL39I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IOTHIOURACIL SODIUM

Common Name

English

IODOTHIOURACIL SODIUM

Preferred Name

English

Iodothiouracil sodium [WHO-DD]

Common Name

English

ITRUMIL SODIUM

Brand Name

English

SODIUM IOTHIOURACIL

Common Name

English

URACIL, 5-IODO-2-THIO-, SODIUM SALT

Common Name

English

4(1H)-PYRIMIDINONE, 2,3-DIHYDRO-5-IODO-2-THIOXO-, MONOSODIUM SALT

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C885