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
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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)
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
Database Links Click here for help
BindingDB Ligand 50206509
CAS Registry No. 57-66-9 (source: Scifinder)
DrugBank Ligand DB01032
DrugCentral Ligand 2268
GtoPdb PubChem SID 178101174
PubChem CID 4911
Search Google for chemical match using the InChIKey DBABZHXKTCFAPX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DBABZHXKTCFAPX
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UniChem Compound Search for chemical match using the InChIKey DBABZHXKTCFAPX-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey DBABZHXKTCFAPX-UHFFFAOYSA-N
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Probenecid (links to external site)
Cat. No. 4107