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Dabuzalgron HCl

CAT: 0013-GTR19206105-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206105-03Size:100 mg
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Description
Dabuzalgron is an adrenoceptor agonist investigated for urinary incontinence treatment. Its research applications include in vitro receptor binding assays and in vivo studies exploring its effects on bladder function in animal models.
CAS Number
219311-43-0
Field of Research
Cell Biology, Neuroscience, Pharmacology & Drug Discovery
Smiles
Cl.O=S (=O) (NC=1C (Cl) =CC=C (OCC2=NCCN2) C1C) C
Molecular Formula
C12H17Cl2N3O3S
Molecular Weight
354.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dabuzalgron Hydrochloride

R450 is an alpha 1 antagonist that acts to tighten the muscle tone in the bladder. It is being considered for treatment of stress-related urinary incontinence. Phase IIa data for the drug show it reduced the number of incontinent episodes compared to placebo with minimal cardiovascular effects.

CAS Number219311-43-0
PubChem CID219093
IUPAC NameN-[6-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-methylphenyl]methanesulfonamide;hydrochloride
Molecular FormulaC12H17Cl2N3O3S
Molecular Weight354.3
Topological Polar Surface Area88.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity463
SMILES
CC1=C(C=CC(=C1NS(=O)(=O)C)Cl)OCC2=NCCN2.Cl
InChI
InChI=1S/C12H16ClN3O3S.ClH/c1-8-10(19-7-11-14-5-6-15-11)4-3-9(13)12(8)16-20(2,17)18;/h3-4,16H,5-7H2,1-2H3,(H,14,15);1H
InChIKey
QFRMKDCRDUXTBR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dabuzalgron Hydrochloride
CAS: 219311-43-0
CID: 219093
Formula: C12H17Cl2N3O3S
MW: 354.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass353.0367680
Monoisotopic Mass353.0367680
Topological Polar Surface Area88.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity463
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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