CHEBI:72567 - levobunolol(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name levobunolol(1+)
ChEBI ID CHEBI:72567
Definition An organic cation obtained by protonation of the secondary amino function of levobunolol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C17H26NO3
Net Charge +1
Average Mass 292.39320
Monoisotopic Mass 292.19072
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/p+1/t12-/m0/s1
InChIKey IXHBTMCLRNMKHZ-LBPRGKRZSA-O
SMILES CC(C)(C)[NH2+]C[C@H](O)COc1cccc2C(=O)CCCc12
ChEBI Ontology
Outgoing levobunolol(1+) (CHEBI:72567) is a ammonium ion derivative (CHEBI:35274)
levobunolol(1+) (CHEBI:72567) is a organic cation (CHEBI:25697)
levobunolol(1+) (CHEBI:72567) is conjugate acid of levobunolol (CHEBI:6438)
Incoming levobunolol hydrochloride (CHEBI:6439) has part levobunolol(1+) (CHEBI:72567)
levobunolol (CHEBI:6438) is conjugate base of levobunolol(1+) (CHEBI:72567)
IUPAC Name
(2S)-N-tert-butyl-2-hydroxy-3-[(5-oxo-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propan-1-aminium
Synonym Source
levobunolol cation ChEBI
Last Modified
23 August 2024