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Levobunolol hydrochloride

CAT: 0607-A9987-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A9987-50Size:50 mg
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Description
A potent, non-selective β-adrenergic receptor antagonist
CAS Number
27912-14-7
Product Name Alternative
(S) -5- (3- (tert-butylamino) -2-hydroxypropoxy) -3,4-dihydronaphthalen-1 (2H) -one hydrochloride
Purity
0.98
Solubility
Soluble in DMSO
Smiles
O=C1CCCC2=C1C=CC=C2OC[C@@H] (O) CNC (C) (C) C.Cl
Molecular Formula
C17H26ClNO3
Molecular Weight
327.85
Storage Conditions
Store at -20°C for 3 years.

Chemical Information

Levobunolol Hydrochloride

Levobunolol hydrochloride is a hydrochloride obtained by combining equimolar amounts of levobunolol and hydrochloric acid. A non-selective beta-adrenergic antagonist used for treatment of glaucoma. It has a role as a beta-adrenergic antagonist and an antiglaucoma drug. It contains a levobunolol(1+).

CAS Number27912-14-7
PubChem CID5284409
IUPAC Name5-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
Molecular FormulaC17H26ClNO3
Molecular Weight327.8
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity350
SMILES
CC(C)(C)NC[C@@H](COC1=CC=CC2=C1CCCC2=O)O.Cl
InChI
InChI=1S/C17H25NO3.ClH/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20;/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3;1H/t12-;/m0./s1
InChIKey
DNTDOBSIBZKFCP-YDALLXLXSA-N
Chemical Structure
2D Structure
2D structure of Levobunolol Hydrochloride
CAS: 27912-14-7
CID: 5284409
Formula: C17H26ClNO3
MW: 327.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass327.1601214
Monoisotopic Mass327.1601214
Topological Polar Surface Area58.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity350
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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