chempirical

Landiolol hydrochloride

C25H40ClN3O8CAS 144481-98-1546.06 g/mol

Open in Covalent MOL file
OOOOOHNHHNONOOHCl
AcetalAlcoholEsterEtherSecondary amine

Properties

Molecular formula
C25H40ClN3O8
Molar mass
546.06 g/mol
Exact mass
545.2504 Da
logP
1.31Crippen estimate
Polar surface area
131.3 Ų
H-bond donors / acceptors
3 / 9
Rotatable bonds
13
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
144481-98-1
SMILES
CC1(C)OC[C@@H](COC(=O)CCc2ccc(OC[C@@H](O)CNCCN=C(O)N3CCOCC3)cc2)O1.Cl
InChIKey
DLPGJHSONYLBKP-IKGOIYPNSA-N
InChI
InChI=1S/C25H39N3O8.ClH/c1-25(2)35-18-22(36-25)17-34-23(30)8-5-19-3-6-21(7-4-19)33-16-20(29)15-26-9-10-27-24(31)28-11-13-32-14-12-28;/h3-4,6-7,20,22,26,29H,5,8-18H2,1-2H3,(H,27,31);1H/t20-,22+;/m0./s1

Weigh it out

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

Names and synonyms

7 names
  • Benzenepropanoic acid, 4-[(2S)-2-hydroxy-3-[[2-[(4-morpholinylcarbonyl)amino]ethyl]amino]propoxy]-, [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester, hydrochloride (1:1)
  • Benzenepropanoic acid, 4-[2-hydroxy-3-[[2-[(4-morpholinylcarbonyl)amino]ethyl]amino]propoxy]-, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester, monohydrochloride, [S-(R*,R*)]-
  • Benzenepropanoic acid, 4-[(2S)-2-hydroxy-3-[[2-[(4-morpholinylcarbonyl)amino]ethyl]amino]propoxy]-, [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester, monohydrochloride
  • ONO 1101 hydrochloride
  • Corebeta
  • Rapibloc
  • Onoact

Work with Landiolol 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

Landiolol133242-30-596 % similar Esmolol hydrochloride81161-17-342 % similar Esmolol81147-92-438 % similar Levobetaxolol hcl116209-55-335 % similar Betaxolol hydrochloride63659-19-835 % similar Metoprolol succinate98418-47-434 % similar Propafenone hydrochloride34183-22-734 % similar Bevantolol hydrochloride42864-78-832 % similar

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

Elsewhere

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