furosemide   Click here for help

GtoPdb Ligand ID: 4839

Synonyms: dihydroflumethiazide | frusemide | Lasix® | methforylthiazidine
Approved drug PDB Ligand
furosemide is an approved drug (FDA (1966))
Compound class: Synthetic organic
Comment: Furosemide is a loop diuretic drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 131.01
Molecular weight 330.01
XLogP 1.2
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N
Isomeric SMILES OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N
InChI InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
InChI Key ZZUFCTLCJUWOSV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1966))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoic acid
International Nonproprietary Names Click here for help
INN number INN
1584 furosemide
Synonyms Click here for help
dihydroflumethiazide | frusemide | Lasix® | methforylthiazidine
Database Links Click here for help
CAS Registry No. 54-31-9 (source: Scifinder)
ChEBI CHEBI:47426
ChEMBL Ligand CHEMBL35
DrugBank Ligand DB00695
DrugCentral Ligand 1258
GtoPdb PubChem SID 178101541
PubChem CID 3440
RCSB PDB Ligand FUN
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Wikipedia Furosemide

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Tocris
Furosemide
Cat. No. 3109