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

Hazards

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

Search the SDS library

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

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.

Tartaric acid87-69-4Free acid D-Tartaric acid147-71-7Free acid, enantiomer DL-Tartaric acid133-37-9Free acid, enantiomer 2,3-Dihydroxybutanedioic acid526-83-0Free acid, stereo not defined Salbutamol18559-94-9Free base, stereo not defined (-)-Salbutamol34391-04-3Free base Potassium bitartrate868-14-4Salt Salbutamol sulfate51022-70-9Salt, stereo not defined Sodium tartrate868-18-8Salt Potassium sodium tartrate304-59-6Salt Potassium tartrate921-53-9Salt N,N-Dimethylethanolamine bitartrate5988-51-2Salt

Similar compounds

Salbutamol dimer149222-15-163 % similar Albuterol methyl ether870076-72-554 % similar Alpha1-(((1,1-Dimethylethyl)amino)methyl)-4-(phenylmethoxy)-1,3-benzenedimethanol56796-66-849 % similar α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol24085-03-846 % similar Terbutaline23031-25-645 % similar Terbutaline sulfate23031-32-542 % similar Salmeterol89365-50-441 % similar (±)-Adrenaline329-65-740 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook