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Metipranolol hydrochloride

CAT: 0804-HY-16316-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16316-01Size:5 mg
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Description
Metipranolol hydrochloride is a non-selective β adrenergic receptor blocking agent.
CAS Number
36592-77-5
UNSPSC
12352005
Target
Adrenergic Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
COVID-19-immunoregulation
Field of Research
Cardiovascular Disease; Endocrinology
Assay Protocol
https://www.medchemexpress.com/Metipranolol_hydrochloride.html
Purity
99.92
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : ≥ 100 mg/mL
Smiles
CC1=C(OC(C)=O)C(C)=C(C)C(OCC(O)CNC(C)C)=C1.[H]Cl
Molecular Formula
C17H28ClNO4
Molecular Weight
345.86
References & Citations
[1]Wolf S, et al. Acute effect of metipranolol on the retinal circulation. Br J Ophthalmol. 1998 Aug;82 (8) :892-6.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
β adrenergic receptor

Chemical Information

Metipranolol Hydrochloride

See also: Metipranolol (has active moiety).

CAS Number36592-77-5
PubChem CID656682
IUPAC Name[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2,3,6-trimethylphenyl] acetate;hydrochloride
Molecular FormulaC17H28ClNO4
Molecular Weight345.9
Topological Polar Surface Area67.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity348
SMILES
CC1=CC(=C(C(=C1OC(=O)C)C)C)OCC(CNC(C)C)O.Cl
InChI
InChI=1S/C17H27NO4.ClH/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4;/h7,10,15,18,20H,8-9H2,1-6H3;1H
InChIKey
BLWNYSZZZWQCKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Metipranolol Hydrochloride
CAS: 36592-77-5
CID: 656682
Formula: C17H28ClNO4
MW: 345.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass345.1706861
Monoisotopic Mass345.1706861
Topological Polar Surface Area67.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity348
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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