Zilpaterol

C14H19N3O2CAS 117827-79-9261.32 g/mol

Open in Covalent MOL file
NHNHONOH
AlcoholPhenolSecondary amine

Properties

Molecular formula
C14H19N3O2
Molar mass
261.32 g/mol
Exact mass
261.1477 Da
Melting point
177 °C (decomposes)
logP
1.55Crippen estimate
Polar surface area
70.3 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
2
Stereocentres
S, Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
117827-79-9
SMILES
CC(C)N[C@H]1CCn2c(O)nc3cccc(c32)[C@@H]1O
InChIKey
ZSTCZWJCLIRCOJ-BJBPJPDTNA-N
InChI
InChI=1/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)/t11-,13-/s2

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Names and synonyms

5 names
  • Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, (6R,7R)-rel-
  • Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 4,5,6,7-tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]-, trans-(±)-
  • Rel-(6R,7R)-4,5,6,7-Tetrahydro-7-hydroxy-6-[(1-methylethyl)amino]imidazo[4,5,1-jk][1]benzazepin-2(1H)-one
  • RU 42173
  • trans-(±)-Zilpaterol

Work with Zilpaterol

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.

Zilpaterol hydrochloride119520-06-8Salt

Similar compounds

Procaterol72332-33-338 % similar Procaterol hydrochloride62929-91-336 % similar Clorprenaline3811-25-432 % similar 1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one62780-89-631 % similar 1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one20662-53-731 % similar 7-Amino-6-hydroxy-6,7,8,9-tetrahydro-2,9a-diazabenzo[cd]azulen-1(2H)-one hydrochloride1021910-71-330 % similar Domperidone57808-66-930 % similar N-[2-(2-Chlorophenyl)-2-hydroxyethyl]propan-2-aminium chloride6933-90-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-[3-[(2-Cyanoethyl)ethylamino]-4-methoxyphenyl]acetamide19433-94-4 Ethyl 5-amino-1-methyl-1H-benzimidazole-2-butanoate3543-73-5

Elsewhere

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