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CHEBI:143781 - (S)-bopindolol

ChEBI IDCHEBI:143781
ChEBI Name(S)-bopindolol
Stars
ASCII Name(S)-bopindolol
DefinitionA 1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate that has S-configuration.
Last Modified23 May 2019
SubmitterAdnan
DownloadsMolfile
FormulaC23H28N2O3
Net Charge0
Average Mass380.488
Monoisotopic Mass380.20999
SMILESCc1cc2c(OC[C@H](CNC(C)(C)C)OC(=O)c3ccccc3)cccc2n1
InChIInChI=1S/C23H28N2O3/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17/h5-13,18,24-25H,14-15H2,1-4H3/t18-/m0/s1
InChIKeyUUOJIACWOAYWEZ-SFHVURJKSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(S)-bopindolol (CHEBI:143781) is a 1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate (CHEBI:143782)
(S)-bopindolol (CHEBI:143781) is enantiomer of (R)-bopindolol (CHEBI:143780)
Incoming Relation(s)
bopindolol (CHEBI:76749) has part (S)-bopindolol (CHEBI:143781)
(R)-bopindolol (CHEBI:143780) is enantiomer of (S)-bopindolol (CHEBI:143781)
IUPAC Name 
(2S)-1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate
Synonym  Source
(S)-1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]-2-benzoyloxypropaneChEBI
Registry NumbersSources
CAS:62697-41-0ChemIDplus