Bumetanide

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Systematic / IUPAC Name: 3-(Butylamino)-4-phenoxy-5-sulfamoylbenzoic acid

ID: Reference1940

Other Names: Fordiuran;
Burinex;
Lunetoron;
Fontego;
Segurex ; more

Formula: C17H20N2O5S

Class: Therapeutics/Prescription Drugs Sports Doping Drugs

Spectral Data

Bumetanide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/14/2015 2:53:43 PM
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Identificators

InChI InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)
InChI Key MAEIEVLCKWDQJH-UHFFFAOYSA-N
Canonical SMILES CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2
CAS 28395031
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Other Names Fordiuran;
Burinex;
Lunetoron;
Fontego;
Segurex;
Bumethanide;
Aquazone;
Butinat;
Cambiex;
Diurama;
Yurinex;
Lixil-leo;
Burine;
Lixil;
Benzoic acid, 3-(aminosulfonyl)-5-(butylamino)-4-phenoxy-;
3-(Aminosulfonyl)-5-(butylamino)-4-phenoxybenzoic acid;
Benzoic acid, 3-(butylamino)-4-phenoxy-5-sulfamoyl-;
3-Butylamino-4-(phenoxy)-5-sulfamoylbenzoic acid;
3-(Aminosulfonyl)-5-(butylamino)-4-(phenyloxy)benzoic acid;
Bumedyl;
Drenural;
Miccil

In Other Databases

HMDb HMDB15024
ChEMBL CHEMBL1072
PubChem 2471
ChemSpider 2377
KEGG D00247
Wikipedia Bumetanide
DrugBank APRD00294
ChemIDPlus 028395031; 028434744
ChEBI CHEBI:3213