bumetanide

Ligand id: 4837

Name: bumetanide

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 127.1
Molecular weight 364.11
XLogP 2.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1983))
IUPAC Name
3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid
International Nonproprietary Names
INN number INN
2943 bumetanide
Synonyms
Bumex® | Burinex® | PF 1593 | Ro 10-6338
Comments
Bumetanide is a loop diuretic drug. It inhibits NKCC1 (SLC12A2) tranporters in the brain and kidney-specific NKCC2 (SLC12A1) transporters in the thick ascending limb of Henle's loop. The latter action modulates water and electrolyte homeostasis and is reponsible for the drug's diuretic effects.
Database Links
CAS Registry No. 28395-03-1 (source: Scifinder)
ChEBI CHEBI:3213
ChEMBL Ligand CHEMBL1072
DrugBank Ligand DB00887
GtoPdb PubChem SID 178101539
PubChem CID 2471
Search Google for chemical match using the InChIKey MAEIEVLCKWDQJH-UHFFFAOYSA-N
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Wikipedia Bumetanide

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Tocris
Bumetanide
Cat. No. 3108