chempirical

Levobunolol

C17H25NO3CAS 47141-42-4291.39 g/mol

Open in Covalent MOL file
HNHOOO
AlcoholEtherKetoneSecondary amine

Properties

Molecular formula
C17H25NO3
Molar mass
291.39 g/mol
Exact mass
291.1834 Da
logP
2.33Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
47141-42-4
SMILES
CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O
InChIKey
IXHBTMCLRNMKHZ-LBPRGKRZSA-N
InChI
InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/t12-/m0/s1

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

Names and synonyms

8 names
  • 1(2H)-Naphthalenone, 5-[(2S)-3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-
  • 1(2H)-Naphthalenone, 5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-, (S)-
  • 5-[(2S)-3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-1(2H)-naphthalenone
  • l-Bunolol
  • (-)-Bunolol
  • W 6421A
  • Bunolgan
  • (S)-5-(3-(tert-Butylamino)-2-hydroxypropoxy)-3,4-dihydronaphthalen-1(2H)-one

Work with Levobunolol

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

Carteolol hydrochloride51781-21-656 % similar Nadolol42200-33-955 % similar 5-Methoxy-1-tetralone33892-75-051 % similar Propafenone54063-53-548 % similar Propafenone hydrochloride34183-22-746 % similar 5-Hydroxy-1-tetralone28315-93-743 % similar Celiprolol56980-93-942 % similar 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-742 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook