Procaterol

C16H22N2O3CAS 72332-33-3290.36 g/mol

Open in Covalent MOL file
NHHOOHNHO
AlcoholPhenolSecondary amine

Properties

Molecular formula
C16H22N2O3
Molar mass
290.36 g/mol
Exact mass
290.1630 Da
logP
2.46Crippen estimate
Polar surface area
85.6 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
5
Stereocentres
S, 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
72332-33-3
SMILES
CC[C@H](NC(C)C)[C@H](O)c1ccc(O)c2nc(O)ccc12
InChIKey
FKNXQNWAXFXVNW-ZEFNCDPZNA-N
InChI
InChI=1/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/t12-,16+/s2

Weigh it out

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

Names and synonyms

6 names
  • 2(1H)-Quinolinone, 8-hydroxy-5-[(1R,2S)-1-hydroxy-2-[(1-methylethyl)amino]butyl]-, rel-
  • 2(1H)-Quinolinone, 8-hydroxy-5-[1-hydroxy-2-[(1-methylethyl)amino]butyl]-, (R*,S*)-(±)-
  • Rel-8-Hydroxy-5-[(1R,2S)-1-hydroxy-2-[(1-methylethyl)amino]butyl]-2(1H)-quinolinone
  • 2(1H)-Quinolinone, 8-hydroxy-5-[1-hydroxy-2-[(1-methylethyl)amino]butyl]-, (R*,S*)-
  • (±)-Procaterol
  • (R,S)-Procaterol

Work with Procaterol

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.

Procaterol hydrochloride62929-91-3Salt

Similar compounds

Indacaterol312753-06-348 % similar Zilpaterol hydrochloride119520-06-838 % similar Zilpaterol117827-79-938 % similar 5-((1R)-2-Bromo-1-hydroxyethyl)-8-phenylmethoxy-1H-quinolin-2-one530084-79-831 % similar 8-Hydroxyquinolin-2(1H)-one15450-76-731 % similar 5-(2R)-2-Oxiranyl-8-(phenylmethoxy)-2(1H)-quinolinone173140-90-430 % similar o-sec-Butylphenol89-72-530 % similar (+-)-Isoproterenol hydrochloride51-30-930 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Dimethylethyl ((3S)-3-amino-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetate109010-60-8 Boc-D-tryptophanol158932-00-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook