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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:50580 - arbutamine
Main
ChEBI Ontology
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ChEBI Name
arbutamine
ChEBI ID
CHEBI:50580
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H23NO4
Net Charge
0
Average Mass
317.37956
Monoisotopic Mass
317.16271
InChI
InChI=1S/C18H23NO4/c20-
15-
7-
4-
13(5-
8-
15)
3-
1-
2-
10-
19-
12-
18(23)
14-
6-
9-
16(21)
17(22)
11-
14/h4-
9,11,18-
23H,1-
3,10,12H2/t18-
/m0/s1
InChIKey
IIRWWTKISYTTBL-SFHVURJKSA-N
SMILES
O[C@@H](CNCCCCc1ccc(O)cc1)c1ccc(O)c(O)c1
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
)
Biological Role
(s):
beta-adrenergic agonist
An agent that selectively binds to and activates
beta
-adrenergic receptors.
molecular messenger
(via
monoamine molecular messenger
)
Application
(s):
beta-adrenergic agonist
An agent that selectively binds to and activates
beta
-adrenergic receptors.
cardiotonic drug
A drug that has a strengthening effect on the heart or that can increase cardiac output.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
arbutamine (
CHEBI:50580
)
has role
β-adrenergic agonist (
CHEBI:35522
)
arbutamine (
CHEBI:50580
)
has role
cardiotonic drug (
CHEBI:38147
)
arbutamine (
CHEBI:50580
)
is a
catecholamine (
CHEBI:33567
)
IUPAC Name
4-[(1
R
)-1-hydroxy-2-{[4-(4-hydroxyphenyl)butyl]amino}ethyl]benzene-1,2-diol
INNs
Sources
arbutamina
ChemIDplus
arbutamine
ChemIDplus
arbutaminum
ChemIDplus
Manual Xrefs
Databases
237
DrugCentral
Arbutamine
Wikipedia
D02976
KEGG DRUG
DB01102
DrugBank
EP329464
Patent
US5395970
Patent
View more database links
Registry Numbers
Types
Sources
128470-16-6
CAS Registry Number
ChemIDplus
7937544
Beilstein Registry Number
Beilstein
Last Modified
22 February 2017