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2D Structure
Also known as: 1285572-51-1, Fyu-981, Dotinurad [inn], (3,5-dichloro-4-hydroxyphenyl)(1,1-dioxidobenzo[d]thiazol-3(2h)-yl)methanone, 305eb53128, (3,5-dichloro-4-hydroxyphenyl)-(1,1-dioxo-2h-1,3-benzothiazol-3-yl)methanone
Molecular Formula
C14H9Cl2NO4S
Molecular Weight
358.2  g/mol
InChI Key
VOFLAIHEELWYGO-UHFFFAOYSA-N
FDA UNII
305EB53128

Dotinurad is under investigation in clinical trial NCT03372200 (Febuxostat-controlled, Double-blind, Comparative Study of FYU-981 in Hyperuricemia With or Without Gout).
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3,5-dichloro-4-hydroxyphenyl)-(1,1-dioxo-2H-1,3-benzothiazol-3-yl)methanone
2.1.2 InChI
InChI=1S/C14H9Cl2NO4S/c15-9-5-8(6-10(16)13(9)18)14(19)17-7-22(20,21)12-4-2-1-3-11(12)17/h1-6,18H,7H2
2.1.3 InChI Key
VOFLAIHEELWYGO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1N(C2=CC=CC=C2S1(=O)=O)C(=O)C3=CC(=C(C(=C3)Cl)O)Cl
2.2 Other Identifiers
2.2.1 UNII
305EB53128
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (3,5-dichloro-4-hydroxyphenyl)-(1,1-dioxo-2h-1,3-benzothiazol-3-yl)methanone

2. Fyu-981

2.3.2 Depositor-Supplied Synonyms

1. 1285572-51-1

2. Fyu-981

3. Dotinurad [inn]

4. (3,5-dichloro-4-hydroxyphenyl)(1,1-dioxidobenzo[d]thiazol-3(2h)-yl)methanone

5. 305eb53128

6. (3,5-dichloro-4-hydroxyphenyl)-(1,1-dioxo-2h-1,3-benzothiazol-3-yl)methanone

7. Urece

8. Methanone, (3,5-dichloro-4-hydroxyphenyl)(1,1-dioxido-3(2h)-benzothiazolyl)-

9. Urece (tn)

10. Dotinurad (jan/inn)

11. Dotinurad [jan]

12. Dotinurad [who-dd]

13. Fyu981

14. Chembl4594446

15. Schembl10322525

16. Gtpl11389

17. Unii-305eb53128

18. Ex-a5737

19. Bdbm50561689

20. Hy-109031

21. Cs-0030545

22. D11071

23. 3-(3,5-dichloro-4-hydroxybenzoyl)-1,1-dioxo-2,3-dihydro-1,3-benzothiazole

2.4 Create Date
2011-05-09
3 Chemical and Physical Properties
Molecular Weight 358.2 g/mol
Molecular Formula C14H9Cl2NO4S
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass356.9629343 g/mol
Monoisotopic Mass356.9629343 g/mol
Topological Polar Surface Area83.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity538
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Uricosuric Agents

Gout suppressants that act directly on the renal tubule to increase the excretion of uric acid, thus reducing its concentrations in plasma. (See all compounds classified as Uricosuric Agents.)