EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:142544 - tamsulosin(1+)

ChEBI IDCHEBI:142544
ChEBI Nametamsulosin(1+)
Stars
DefinitionA secondary ammonium ion resulting from the protonation of the secondary amino group of tamsulosin. The major species at pH 7.3.
Last Modified16 May 2019
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H29N2O5S
Net Charge+1
Average Mass409.528
Monoisotopic Mass409.17917
SMILESCCOc1ccccc1OCC[NH2+][C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/p+1/t15-/m1/s1
InChIKeyDRHKJLXJIQTDTD-OAHLLOKOSA-O
ChEBI Ontology
Outgoing Relation(s)
tamsulosin(1+) (CHEBI:142544) is a secondary ammonium ion (CHEBI:137419)
tamsulosin(1+) (CHEBI:142544) is conjugate acid of tamsulosin (CHEBI:9398)
tamsulosin(1+) (CHEBI:142544) is enantiomer of ent-tamsulosin(1+) (CHEBI:142549)
Incoming Relation(s)
tamsulosin hydrochloride (CHEBI:9399) has part tamsulosin(1+) (CHEBI:142544)
tamsulosin (CHEBI:9398) is conjugate base of tamsulosin(1+) (CHEBI:142544)
ent-tamsulosin(1+) (CHEBI:142549) is enantiomer of tamsulosin(1+) (CHEBI:142544)
IUPAC Name 
(2R)-N-[2-(2-ethoxyphenoxy)ethyl]-1-(4-methoxy-3-sulfamoylphenyl)propan-2-aminium