Dotinurad

Synopsis, Chemistry

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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

Dotinurad

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 Formula	C₁₄H₉Cl₂NO₄S
Molecular Weight	358.2 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	356.9629343 g/mol
Monoisotopic Mass	356.9629343 g/mol
Topological Polar Surface Area	83.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	538
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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.)