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CHEBI:82649 - ent-butopamine

ChEBI IDCHEBI:82649
ChEBI Nameent-butopamine
Stars
ASCII Nameent-butopamine
DefinitionA 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol in which both stereocentres have S configuration.
Last Modified7 August 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H23NO3
Net Charge0
Average Mass301.386
Monoisotopic Mass301.16779
SMILESC[C@@H](CCc1ccc(O)cc1)NC[C@@H](O)c1ccc(O)cc1
InChIInChI=1S/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15/h4-11,13,18-22H,2-3,12H2,1H3/t13-,18+/m0/s1
InChIKeyYJQZYXCXBBCEAQ-SCLBCKFNSA-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)
ent-butopamine (CHEBI:82649) is a 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol (CHEBI:82647)
ent-butopamine (CHEBI:82649) is enantiomer of butopamine (CHEBI:82648)
Incoming Relation(s)
ractopamine (CHEBI:82644) has part ent-butopamine (CHEBI:82649)
butopamine (CHEBI:82648) is enantiomer of ent-butopamine (CHEBI:82649)
IUPAC Name 
4-[(1S)-1-hydroxy-2-{[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl]phenol
Synonym  Source
(S,S)-ractopamineChEBI
Registry NumbersSources
Reaxys:8395949Reaxys
Citations