torsemide   Click here for help

GtoPdb Ligand ID: 7312

Synonyms: AC-4464 | AC4464 | BM-02015 | Demadex®
Approved drug
torsemide is an approved drug (FDA (1993))
Compound class: Synthetic organic
Comment: Torsemide is a loop diuretic.
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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 115.29
Molecular weight 348.13
XLogP 4.33
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1cccc(c1)N=c1cc[nH]cc1S(=O)(=O)NC(=NC(C)C)O
Isomeric SMILES Cc1cccc(c1)N=c1cc[nH]cc1S(=O)(=O)NC(=NC(C)C)O
InChI InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)
InChI Key NGBFQHCMQULJNZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1993))
IUPAC Name Click here for help
N-({4-[(3-methylphenyl)imino]-1,4-dihydropyridin-3-yl}sulfonyl)propane-2-carbamimidic acid
International Nonproprietary Names Click here for help
INN number INN
3938 torasemide
Synonyms Click here for help
AC-4464 | AC4464 | BM-02015 | Demadex®
Database Links Click here for help
CAS Registry No. 56211-40-6
ChEMBL Ligand CHEMBL1148
DrugBank Ligand DB00214
DrugCentral Ligand 2708
GtoPdb PubChem SID 178103885
PubChem CID 41781
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Wikipedia Torasemide