for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Bumetanide-d5 is a diuretic.
| Canonical Smiles | CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2 |
|---|---|
| IUPAC Name | 3-(butylamino)-4-(2,3,4,5,6-pentadeuteriophenoxy)-5-sulfamoylbenzoic acid |
| InChIKey | MAEIEVLCKWDQJH-UPKDRLQUSA-N |
| 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)/i4D,5D,6D,7D,8D |
| Isomeric SMILES | [2H]C1=C(C(=C(C(=C1[2H])[2H])OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCCCC)[2H])[2H] |
| Molecular Weight | 369.45 |
| Reaxy-Rn | 2185351 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2185351&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylethers |
| Alternative Parents | Aminobenzenesulfonamides Diarylethers Aminobenzoic acids Benzenesulfonyl compounds Benzoic acids Phenylalkylamines Phenoxy compounds Phenol ethers Aniline and substituted anilines Benzoyl derivatives Secondary alkylarylamines Organosulfonamides Aminosulfonyl compounds Amino acids Carboxylic acids Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylether - Aminobenzenesulfonamide - Diaryl ether - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Benzoyl - Phenylalkylamine - Phenol ether - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Amino acid - Amino acid or derivatives - Secondary amine - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. |
| External Descriptors | Not available |
| Solubility | Soluble in DMSO and Methanol |
|---|---|
| Melt Point(°C) | 234-236° C |
| Molecular Weight | 369.400 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 369.141 Da |
| Monoisotopic Mass | 369.141 Da |
| Topological Polar Surface Area | 127.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 528.000 |
| Isotope Atom Count | 5 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
