chempirical

Bisoprolol

C18H31NO4CAS 66722-44-9325.45 g/mol

Open in Covalent MOL file
HNHOOOO
AlcoholEtherSecondary amine

Properties

Molecular formula
C18H31NO4
Molar mass
325.45 g/mol
Exact mass
325.2253 Da
Melting point
100 °C
logP
2.37Crippen estimate
Polar surface area
60.0 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
12

Identifiers

CAS number
66722-44-9
SMILES
CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1
InChIKey
VHYCDWMUTMEGQY-UHFFFAOYSA-N
InChI
InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3

Weigh it out

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

Names and synonyms

10 names
  • 2-Propanol, 1-[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]-3-[(1-methylethyl)amino]-
  • 1-[4-[[2-(1-Methylethoxy)ethoxy]methyl]phenoxy]-3-[(1-methylethyl)amino]-2-propanol
  • 1-(p-2-Isopropoxyethoxymethylphenoxy)-3-isopropylaminopropan-2-ol
  • (±)-Bisoprolol
  • Racemic bisoprolol
  • Konkor
  • Cardensiel
  • TY 0201
  • 1-(Propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol
  • 1-[4-(2-Isopropoxy-ethoxymethyl)-phenoxy]-3-isopropylamino-propan-2-ol

Work with Bisoprolol

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

Bisoprolol fumarate104344-23-281 % similar Metoprolol37350-58-663 % similar Betaxolol63659-18-763 % similar 2-[[4-[[2-(1-Methylethoxy)ethoxy]methyl]phenoxy]methyl]oxirane66722-57-460 % similar Levobetaxolol hcl116209-55-359 % similar Betaxolol hydrochloride63659-19-859 % similar Atenolol29122-68-756 % similar Esmolol81147-92-454 % similar

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

Same formula

Tetradecanoic acid N-hydroxysuccinimide ester69888-86-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook