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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:82649 -
ent
-butopamine
Main
ChEBI Ontology
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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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Molfile
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Molfile
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 (Br
o
nsted 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-[(1
S
)-1-hydroxy-2-{[(2
S
)-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
Type
Source
12597381
PubMed citation
Europe PMC
Last Modified
07 August 2014