Procaterol hydrochloride

C16H23ClN2O3CAS 62929-91-3326.82 g/mol

NHHOOHNHOHCl
AlcoholPhenolSecondary amine

Properties

Molecular formula
C16H23ClN2O3
Molar mass
326.82 g/mol
Exact mass
326.1397 Da
logP
2.88Crippen estimate
Polar surface area
85.6 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
5
Stereocentres
S, Rin SMILES atom order

Identifiers

CAS number
62929-91-3
SMILES
CC[C@H](NC(C)C)[C@H](O)c1ccc(O)c2nc(O)ccc12.Cl
InChIKey
AEQDBKHAAWUCMT-IKXRQPAANA-N
InChI
InChI=1/C16H22N2O3.ClH/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);1H/t12-,16+;/s2

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Names and synonyms

6 names
  • 2(1H)-Quinolinone, 8-hydroxy-5-[(1R,2S)-1-hydroxy-2-[(1-methylethyl)amino]butyl]-, hydrochloride (1:1), rel-
  • 2(1H)-Quinolinone, 8-hydroxy-5-[1-hydroxy-2-[(1-methylethyl)amino]butyl]-, monohydrochloride, (R*,S*)-(±)-
  • 2(1H)-Quinolinone, 8-hydroxy-5-[(1R,2S)-1-hydroxy-2-[(1-methylethyl)amino]butyl]-, monohydrochloride, rel-
  • OPC 2009
  • Meptin
  • 2(1H)-Quinolinone, 8-hydroxy-5-[1-hydroxy-2-[(1-methylethyl)amino]butyl]-, monohydrochloride, (R*,S*)-

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Similar compounds

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

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