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Bumetanide

CAT: 1299-RM-B211300-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-B211300-04Size:100 mg
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CAS Number
28395-03-1
Synonyms
3- (butylamino) -4-phenoxy-5-sulfamoylbenzoic acid
Molecular Formula
C17H20N2O5S
Molecular Weight
364.42
Target Alternative Name
Bumetanide
Product Name Synonym
3- (butylamino) -4-phenoxy-5-sulfamoylbenzoic acid

Chemical Information

Bumetanide

Bumetanide is a member of the class of benzoic acids that is 4-phenoxybenzoic acid in which the hydrogens ortho to the phenoxy group are substituted by butylamino and sulfamoyl groups. Bumetanide is a diuretic, and is used for treatment of oedema associated with congestive heart failure, hepatic and renal disease. It has a role as an EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor and a diuretic. It is a member of benzoic acids, an amino acid and a sulfonamide.

CAS Number28395-03-1
PubChem CID2471
IUPAC Name3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid
Molecular FormulaC17H20N2O5S
Molecular Weight364.4
XLogP2.8
Topological Polar Surface Area127
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity528
SMILES
CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2
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)
InChIKey
MAEIEVLCKWDQJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bumetanide
CAS: 28395-03-1
CID: 2471
Formula: C17H20N2O5S
MW: 364.4
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight364.4
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass364.10929292
Monoisotopic Mass364.10929292
Topological Polar Surface Area127 Ų
Heavy Atom Count25
Formal Charge0
Complexity528
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A1855-100Bumetanide

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