chempirical

Levalbuterol tartrate

C17H27NO9CAS 661464-94-4389.40 g/mol

Open in Covalent MOL file
HNHOOHHOOHOOHOHOOH
AlcoholCarboxylic acidPhenolSecondary amine

Properties

Molecular formula
C17H27NO9
Molar mass
389.40 g/mol
Exact mass
389.1686 Da
logP
-0.82Crippen estimate
Polar surface area
187.8 Ų
H-bond donors / acceptors
8 / 8
Rotatable bonds
7
Stereocentres
R, R, Rin SMILES atom order

Identifiers

CAS number
661464-94-4
SMILES
CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIKey
SQOXPNYIJRDVRE-RVHANOPWSA-N
InChI
InChI=1S/C13H21NO3.C4H6O6/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;5-1(3(7)8)2(6)4(9)10/h4-6,12,14-17H,7-8H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t12-;1-,2-/m01/s1

Weigh it out

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

Names and synonyms

3 names
  • 1,3-Benzenedimethanol, α1-[[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-, (α1R)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1) (salt)
  • Xopenex HFA
  • Levosalbutamol tartrate

Work with Levalbuterol tartrate

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

Similar compounds

Salbutamol18559-94-977 % similar (-)-Salbutamol34391-04-377 % similar Levalbuterol hydrochloride50293-90-873 % similar Salbutamol sulfate51022-70-969 % similar (-)-Epinephrine (+)-bitartrate51-42-358 % similar α1-[[(1,1-Dimethylethyl)amino]methyl]-4-(phenylmethoxy)-1,3-benzenedimethanol56796-66-849 % similar Dl-Noradrenaline bitartrate3414-63-949 % similar (-)-Norepinephrine (+)-bitartrate51-40-149 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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