probenecid   Click here for help

GtoPdb Ligand ID: 4357

Synonyms: Probalan®
Approved drug
probenecid is an approved drug (FDA (1951))
Compound class: Synthetic organic
Comment: Probenecid is considered to be the prototypical uricosuric agent.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 83.06
Molecular weight 285.1
XLogP 2.29
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC
Isomeric SMILES CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC
InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
InChI Key DBABZHXKTCFAPX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1951))
IUPAC Name Click here for help
4-(Dipropylsulfamoyl)benzoic acid
International Nonproprietary Names Click here for help
INN number INN
563 probenecid
Synonyms Click here for help
Probalan®
Database Links Click here for help
BindingDB Ligand 50206509
CAS Registry No. 57-66-9 (source: Scifinder)
ChEMBL Ligand CHEMBL897
DrugBank Ligand DB01032
DrugCentral Ligand 2268
GtoPdb PubChem SID 178101174
PubChem CID 4911
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Wikipedia Probenecid

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Probenecid
Cat. No. 4107