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WB 4101 hydrochloride

CAT: 0607-B6515-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B6515-25Size:25 mg
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Description
α1A-adrenergic antagonist
CAS Number
2170-58-3
Product Name Alternative
(R)-N-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-2-(2,6-dimethoxyphenoxy)ethanamine hydrochloride
Field of Research
GPCR G protein Adrenergic Receptor
Purity
0.98
Form
White solid
Solubility
<19.09mg/ml in H2O
Smiles
COC1=CC=CC(OC)=C1OCCNC[C@H]2OC3=CC=CC=C3OC2.Cl
Molecular Formula
C19H23NO5·HCl
Molecular Weight
381.86
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

1,4-Benzodioxin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro-, hydrochloride (1:1)

N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine hydrochloride is a hydrochloride salt that is obtained by reaction of N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine with one equivalent of hydrogen chloride. An alpha1A-adrenergic selective antagonist. It has a role as an alpha-adrenergic antagonist. It contains a N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanaminium(1+).

CAS Number2170-58-3
PubChem CID11957505
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine;hydrochloride
Molecular FormulaC19H24ClNO5
Molecular Weight381.8
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity371
SMILES
COC1=C(C(=CC=C1)OC)OCCNCC2COC3=CC=CC=C3O2.Cl
InChI
InChI=1S/C19H23NO5.ClH/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14;/h3-9,14,20H,10-13H2,1-2H3;1H
InChIKey
KAHMEWANVDFFCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Benzodioxin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro-, hydrochloride (1:1)
CAS: 2170-58-3
CID: 11957505
Formula: C19H24ClNO5
MW: 381.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight381.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass381.1343006
Monoisotopic Mass381.1343006
Topological Polar Surface Area58.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity371
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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