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Betaxolol HCl

CAT: 0607-B1353-SSize: Evaluation SampleDry Ice: NoHazardous: No
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Description
β1 adrenergic receptor blocker
CAS Number
63659-19-8
Product Name Alternative
1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
Field of Research
GPCR G protein Adrenergic Receptor
Purity
0.9816
Form
A solid
Solubility
≥17.19 mg/mL in DMSO; ≥24.9 mg/mL in EtOH; ≥28.05 mg/mL in H2O
Smiles
CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O.Cl
Molecular Formula
C18H29NO3·HCl
Molecular Weight
343.89
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Betaxolol Hydrochloride

Betaxolol Hydrochloride is the hydrochloride salt form of betaxolol, a beta-1-selective adrenergic receptor antagonist without intrinsic sympathomimetic activity. Betaxolol hydrochloride acts on the heart and circulatory system and decreases cardiac contractility and rate, thereby reducing cardiac output. When applied topically in the eye, it lowers intraocular pressure by reducing aqueous humor secretion.

CAS Number63659-19-8
PubChem CID107952
IUPAC Name1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
Molecular FormulaC18H30ClNO3
Molecular Weight343.9
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count23
Formal Charge0
Complexity286
SMILES
CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O.Cl
InChI
InChI=1S/C18H29NO3.ClH/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16;/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3;1H
InChIKey
CHDPSNLJFOQTRK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Betaxolol Hydrochloride
CAS: 63659-19-8
CID: 107952
Formula: C18H30ClNO3
MW: 343.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass343.1914215
Monoisotopic Mass343.1914215
Topological Polar Surface Area50.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity286
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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