Levobetaxolol hcl

C18H30ClNO3CAS 116209-55-3343.89 g/mol

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HNOOHOHCl
AlcoholEtherSecondary amine

Properties

Molecular formula
C18H30ClNO3
Molar mass
343.89 g/mol
Exact mass
343.1914 Da
logP
2.82Crippen estimate
Polar surface area
50.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
11
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
116209-55-3
SMILES
CC(C)NC[C@@H](COC1=CC=C(C=C1)CCOCC2CC2)O.Cl
InChIKey
CHDPSNLJFOQTRK-LMOVPXPDSA-N
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/t17-;/m0./s1

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Names and synonyms

1 names
  • Levobetaxolol hydrochloride

Work with Levobetaxolol hcl

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Betaxolol63659-18-7Free base, stereo not defined Betaxolol hydrochloride63659-19-8Stereo not defined

Similar compounds

Metoprolol37350-58-667 % similar Esmolol hydrochloride81161-17-362 % similar Bisoprolol66722-44-959 % similar Esmolol81147-92-456 % similar Metoprolol succinate98418-47-456 % similar Atenolol29122-68-756 % similar Metoprolol tartrate56392-17-755 % similar Bisoprolol fumarate104344-23-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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