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Arotinolol (hydrochloride)

CAT: 0804-HY-122537Size: 1 EachDry Ice: NoHazardous: No
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Description
Arotinolol hydrochloride is a nonselective α/β-adrenergic receptor blocker and a vasodilating β-blocker[1]. Arotinolol hydrochloride also shows potency for inhibiting the binding of the radioligand 125I-ICYP to 5HT1B-serotonergic receptor sites[2]. Arotinolol hydrochloride is an antihypertensive agent for the treatment of a variety of cardiovascular pathologies as well as non-cardiovascular diseases[1].
CAS Number
68377-91-3
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
5-HT Receptor; Adrenergic Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/arotinolol-hydrochloride.html
Smiles
O=C(N)C1=CC=C(S1)C2=CSC(SCC(CNC(C)(C)C)O)=N2.[H]Cl
Molecular Formula
C15H22ClN3O2S3
Molecular Weight
408.00
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1] Zhou W, et al. Mechanisms of improved aortic stiffness by arotinolol in spontaneously hypertensive rats.PLoS One. 2014 Feb 12;9 (2) :e88722|[2]Hiroshi TSUCHIHASHI, et al. Characteristics of 1251-lodocyanopindolol Binding to 8-Adrenergic and Serotonin-1B Receptors of Rat Brain: Selectivity of 19-Adrenergic Agents
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
5-HT1 Receptor

Chemical Information

Arotinolol Hydrochloride

Arotinolol hydrochloride is a member of thiophenes and an aromatic amide.

CAS Number68377-91-3
PubChem CID155032
IUPAC Name5-[2-[3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide;hydrochloride
Molecular FormulaC15H22ClN3O2S3
Molecular Weight408.0
Topological Polar Surface Area170
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity406
SMILES
CC(C)(C)NCC(CSC1=NC(=CS1)C2=CC=C(S2)C(=O)N)O.Cl
InChI
InChI=1S/C15H21N3O2S3.ClH/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20;/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20);1H
InChIKey
XXDAXBZYUXLDRD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Arotinolol Hydrochloride
CAS: 68377-91-3
CID: 155032
Formula: C15H22ClN3O2S3
MW: 408.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass407.0562682
Monoisotopic Mass407.0562682
Topological Polar Surface Area170 Ų
Heavy Atom Count24
Formal Charge0
Complexity406
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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