Dabuzalgron
Basic information
- CAS
219311-44-1- Standard SMILES
Cc1c(OCC2=NCCN2)ccc(Cl)c1NS(C)(=O)=O- InChIKey
FOYWMEJSRSBQGB-UHFFFAOYSA-N- Molecular formula
- C12H16ClN3O3S
- Average molar mass
- 317.79 g/mol
- Monoisotopic mass
- 317.0600902
Overview
Dabuzalgron is a sulfonamide that is N-phenylmethanesulfonamide which carries a chloro group at position 2, 4,5-dihydro-1H-imidazol-2-ylmethoxy group at position 5, and a methyl group at position 6. Its is a selective alpha-adrenoceptor agonist that is used in the treatment of urinary incontinence. It has a role as an alpha-adrenergic agonist. It is a member of imidazoles, a sulfonamide, an aromatic ether and a member of monochlorobenzenes.
Names & identifiers
- Preferred name
- Dabuzalgron
- IUPAC
- N-[6-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-methylphenyl]methanesulfonamide
- English name
- Dabuzalgron
- Molecular formula
- C12H16ClN3O3S
- Molecular weight
- 317.79
Names & synonyms
Dabuzalgron219311-44-1n-[6-chloro-3-(4,5-dihydro-1h-imidazol-2-ylmethoxy)-2-methylphenyl]methanesulfonamideN-(6-Chloro-3-((4,5-dihydro-1H-imidazol-2-yl)methoxy)-2-methylphenyl)methanesulfonamideLGX4GZ74WORo 115-1240dabuzalgronumCHEBI:142452Ro-115-1240DTXSID50176345N-{6-chloro-3-[(4,5-dihydro-1H-imidazol-2-yl)methoxy]-2-methylphenyl}methanesulfonamideN-(6-CHLORO-3-(4,5-DIHYDRO-1H-IMIDAZOL-2-YLMETHOXY)-2-METHYLPHENYL)METHANESULFONAMIDE
Show more names
Dabuzalgron, 10 mM in DMSON-[6-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-methyl-phenyl]me thanesulfonamideMethanesulfonaMide, N-[6-chloro-3-[(4,5-dihydro-1H-iMidazol-2-yl)Methoxy]-2-Methylphenyl]-membrane,potential,inhibit,Adrenergic Receptor,mitochondrial,urinary,Inhibitor,Beta Receptor,incontinence,Cell,Dabuzalgron,death,Apoptosis
RefChem:130707DTXCID1098836Ro115-1240Dabuzalgron [INN]219311-44-1 (free base)CHEMBL257978GTPL3469EX-A4502
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 463
Physicochemical properties
- Density
- 1.46 · 1.46
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 26 mg/mL · DMSO: 26 mg/mL (81.82 mM)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 4 GZ74WO · LGX4GZ74WO
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesTreatment of stress urinary incontinence.
Additional notes
DefinitionChEBI: Dabuzalgron is a sulfonamide that is N-phenylmethanesulfonamide which carries a chloro group at position 2, 4,5-dihydro-1H-imidazol-2-ylmethoxy group at position 5, and a methyl group at position 6. Its is a selective alpha-adrenoceptor agonist that is used in the treatment of urinary incontinence. It has a role as an alpha-adrenergic agonist. It is a member of monochlorobenzenes, an aromatic ether, a sulfonamide and a member of imidazoles.
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