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79944-56-2

79944-56-2 structural image
Product Name: IDAZOXAN HYDROCHLORIDE
Formula: C11H13ClN2O2
Synonyms: (±)-2-[1,4-Benzodioxan-2-yl]-2-imidazoline hydrochloride;2-(1,4-Benzodioxan-2-yl)-2-imidazoline hydrochloride, RX781094, Idazoxa, α₂-Adrenoceptor Antagonist, Idazoxan Hydrochloride;Idazoxan Hydrochloride - CAS 79944-56-2 - Calbiochem;RX 781094
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >36.1 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section 142.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
Precautionary Statement Codes P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 240.68 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 240.0665554 g/mol
Monoisotopic Mass 240.0665554 g/mol
Topological Polar Surface Area 42.8 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 267
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

A benzodioxane-linked imidazole that has alpha-2 adrenoceptor antagonist activity.