Levalbuterol hydrochloride

C₁₃H₂₂ClNO₃CAS 50293-90-8275.77 g/mol

Open in Covalent MOL file

Alcohol Phenol Secondary amine

Properties

Molecular formula: C₁₃H₂₂ClNO₃
Molar mass: 275.77 g/mol
Exact mass: 275.1288 Da
logP: 1.73Crippen estimate
Polar surface area: 72.7 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 4
Stereocentres: Rin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation97.7% of notifiers
H318 Causes serious eye damage90.7% of notifiers
H335 May cause respiratory irritation93% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

50293-90-8

SMILES

CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1.Cl

InChIKey

OWNWYCOLFIFTLK-YDALLXLXSA-N

InChI

InChI=1S/C13H21NO3.ClH/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;/h4-6,12,14-17H,7-8H2,1-3H3;1H/t12-;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names

1,3-Benzenedimethanol, α1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, hydrochloride (1:1), (α1R)-
1,3-Benzenedimethanol, α1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, hydrochloride, (R)-
1,3-Benzenedimethanol, α1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, hydrochloride, (α1R)-
(-)-Salbutamol hydrochloride
(R)-Salbutamol hydrochloride
Xopenex
Levosalbutamol hydrochloride
(R)-4-(2-(tert-Butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol hydrochloride

Work with Levalbuterol hydrochloride

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.

Salbutamol18559-94-9Free base, stereo not defined (-)-Salbutamol34391-04-3Free base Salbutamol sulfate51022-70-9Salt, stereo not defined Levalbuterol tartrate661464-94-4Salt

Similar compounds

Salbutamol dimer149222-15-173 % similar Albuterol methyl ether870076-72-563 % similar Alpha1-(((1,1-Dimethylethyl)amino)methyl)-4-(phenylmethoxy)-1,3-benzenedimethanol56796-66-856 % similar α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol24085-03-853 % similar Terbutaline23031-25-650 % similar (±)-Epinephrine hydrochloride329-63-550 % similar (-)-Epinephrine hydrochloride55-31-250 % similar Clenbuterol hydrochloride21898-19-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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