tolbutamide   Click here for help

GtoPdb Ligand ID: 6848

Synonyms: Orinase® | tolbutamide sodium
Approved drug
tolbutamide is an approved drug (FDA (1979))
Compound class: Synthetic organic
Comment: A sulfonylurea family drug inhibiting sulfonylurea receptor 1 (ABCC8)/Kir6.2 ( KCNJ11).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 83.65
Molecular weight 270.1
XLogP 2.18
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C
Isomeric SMILES CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C
InChI InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)
InChI Key JLRGJRBPOGGCBT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1979))
IUPAC Name Click here for help
3-butyl-1-(4-methylbenzenesulfonyl)urea
International Nonproprietary Names Click here for help
INN number INN
602 tolbutamide
Synonyms Click here for help
Orinase® | tolbutamide sodium
Database Links Click here for help
CAS Registry No. 64-77-7
ChEMBL Ligand CHEMBL782
DrugBank Ligand DB01124
DrugCentral Ligand 2696
GtoPdb PubChem SID 178103454
PubChem CID 5505
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Wikipedia Tolbutamide