CHEBI:82649 - ent-butopamine

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ChEBI Name ent-butopamine
ChEBI ID CHEBI:82649
ChEBI ASCII Name ent-butopamine
Definition A 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol in which both stereocentres have S configuration.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C18H23NO3
Net Charge 0
Average Mass 301.38010
Monoisotopic Mass 301.16779
InChI InChI=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
InChIKey YJQZYXCXBBCEAQ-SCLBCKFNSA-N
SMILES C[C@@H](CCc1ccc(O)cc1)NC[C@@H](O)c1ccc(O)cc1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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)-ractopamine ChEBI
Registry Number Type Source
8395949 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
12597381 PubMed citation Europe PMC
Last Modified
07 August 2014