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Dotinurad

CAT: 0572-TRC-D262675-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D262675-0.5MGSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1285572-51-1
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
Oc1c(Cl)cc(cc1Cl)C(=O)N2CS(=O)(=O)c3ccccc23
Molecular Formula
C14H9Cl2NO4S
Molecular Weight
358.19
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Dotinurad

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

CAS Number1285572-51-1
PubChem CID51349053
IUPAC Name(3,5-dichloro-4-hydroxyphenyl)-(1,1-dioxo-2H-1,3-benzothiazol-3-yl)methanone
Molecular FormulaC14H9Cl2NO4S
Molecular Weight358.2
XLogP2.9
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity538
SMILES
C1N(C2=CC=CC=C2S1(=O)=O)C(=O)C3=CC(=C(C(=C3)Cl)O)Cl
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
InChIKey
VOFLAIHEELWYGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dotinurad
CAS: 1285572-51-1
CID: 51349053
Formula: C14H9Cl2NO4S
MW: 358.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.2
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass356.9629343
Monoisotopic Mass356.9629343
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
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-109031Dotinurad
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A19354-10Dotinurad 10mg
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A19354-25Dotinurad 25mg
A19354-5Dotinurad 5mg
A19354-1Dotinurad 1mg
RM-D152176-01Dotinurad Impurity 76
RM-D152175-01Dotinurad Impurity 75

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