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Lesinurad 200mg

CAT: 0628-A12981-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0628-A12981-200Size:200 mg
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CAS Number
878672-00-5

Chemical Information

Lesinurad

Lesinurad is a member of the class of triazoles that is [(3-bromo-1,2,4-triazol-5-yl)sulfanyl]acetic acid substituted at position 1 of the triazole ring by a 4-cyclopropylnaphthalen-1-yl group. Used for treatment of gout. It has a role as a uricosuric drug. It is a monocarboxylic acid, a member of naphthalenes, an aryl sulfide, a member of triazoles, an organobromine compound and a member of cyclopropanes.

CAS Number878672-00-5
PubChem CID53465279
IUPAC Name2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Molecular FormulaC17H14BrN3O2S
Molecular Weight404.3
XLogP4.7
Topological Polar Surface Area93.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity479
SMILES
C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)O
InChI
InChI=1S/C17H14BrN3O2S/c18-16-19-20-17(24-9-15(22)23)21(16)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6,9H2,(H,22,23)
InChIKey
FGQFOYHRJSUHMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lesinurad
CAS: 878672-00-5
CID: 53465279
Formula: C17H14BrN3O2S
MW: 404.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight404.3
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass402.99901
Monoisotopic Mass402.99901
Topological Polar Surface Area93.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity479
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