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Dabuzalgron

CAT: 0931-T10952-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T10952-01Size:1 mg
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CAS Number
219311-44-1
Target
Apoptosis, Adrenergic Receptor
Related Pathways
GPCR/G Protein, Neuroscience, Apoptosis
Purity
0.9847
Bioactivity
Dabuzalgron (Ro 115-1240), an orally active selective alpha-1A adrenergic receptor agonist, is used to treat urinary incontinence and prevents doxorubicin-induced cardiotoxicity by maintaining mitochondrial function.
Smiles
Cc1c(OCC2=NCCN2)ccc(Cl)c1NS(C)(=O)=O
Molecular Formula
C12H16ClN3O3S
Molecular Weight
317.79
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dabuzalgron

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.

CAS Number219311-44-1
PubChem CID216249
IUPAC NameN-[6-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-methylphenyl]methanesulfonamide
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.79
XLogP0.9
Topological Polar Surface Area88.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity463
SMILES
CC1=C(C=CC(=C1NS(=O)(=O)C)Cl)OCC2=NCCN2
InChI
InChI=1S/C12H16ClN3O3S/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)
InChIKey
FOYWMEJSRSBQGB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dabuzalgron
CAS: 219311-44-1
CID: 216249
Formula: C12H16ClN3O3S
MW: 317.79
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.79
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass317.0600902
Monoisotopic Mass317.0600902
Topological Polar Surface Area88.2 Ų
Heavy Atom Count20
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19176833-01Dabuzalgron
HY-117071ADabuzalgron (hydrochloride)
MBS5766445Dabuzalgron HCl

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