Lesinurad
2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Molecular Identity
Lesinurad
2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
PubChem CID: 53465279
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.
2D Structure
Properties
C17H14BrN3O2S
Molecular Formula
404.30
Molecular Weight
g/mol
402.9990
Exact Mass
Da
4.7
XLogP
Drug-like (Lipinski: < 5)
93.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
479
Complexity
SMILES
Canonical SMILES
SMILES: C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)OIsomeric SMILES
SMILES: C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)OSynonyms(20)
LESINURAD878672-00-5RDEA594ZurampicRDEA 594RDEA-59409ERP08I3W2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acidCHEBI:90929DUZALLO COMPONENT LESINURADDTXSID2010260912-{[5-broMo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid{[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acidlesinuradum((5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid
Data from PubChem (NCBI)
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