chempirical

Bevantolol hydrochloride

C20H28ClNO4CAS 42864-78-8381.90 g/mol

Open in Covalent MOL file
ONHOHOOHCl
AlcoholEtherSecondary amine

Properties

Molecular formula
C20H28ClNO4
Molar mass
381.90 g/mol
Exact mass
381.1707 Da
Melting point
137–138 °C
logP
3.01Crippen estimate
Polar surface area
60.0 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
10

Identifiers

CAS number
42864-78-8
SMILES
COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC.Cl
InChIKey
FJTKCFSPYUMXJB-UHFFFAOYSA-N
InChI
InChI=1S/C20H27NO4.ClH/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3;/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3;1H

Weigh it out

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

Names and synonyms

9 names
  • 2-Propanol, 1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)-, hydrochloride (1:1)
  • 2-Propanol, 1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)-, hydrochloride
  • 1-[(3,4-Dimethoxyphenethyl)amino]-3-(m-tolyloxy)-2-propanol hydrochloride
  • CI 775
  • NC 1400
  • Ranestol
  • Cl 775
  • Vantol
  • Sentiloc

Work with Bevantolol hydrochloride

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

N-Methylhomoveratrylamine3490-06-042 % similar Propafenone hydrochloride34183-22-741 % similar Carvedilol72956-09-341 % similar 1-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine hydrochloride (1:2)165377-44-639 % similar 2-(3,4-Dimethoxyphenyl)ethanol7417-21-238 % similar Esmolol hydrochloride81161-17-337 % similar D-(-)-Tetrahydropapaverine hydrochloride54417-53-737 % similar Tetrahydropapaverine hydrochloride6429-04-537 % similar

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

Elsewhere

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