Preferred Name |
arbutamine |
|
Synonyms |
4-[(1R)-1-hydroxy-2-{[4-(4-hydroxyphenyl)butyl]amino}ethyl]benzene-1,2-diol arbutamina arbutaminum arbutamine |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_50580 |
|
charge |
0 |
|
database_cross_reference |
DrugBank:DB01102 CAS:128470-16-6 Drug_Central:237 Beilstein:7937544 Patent:EP329464 Patent:US5395970 Wikipedia:Arbutamine KEGG:D02976 |
|
formula |
C18H23NO4 |
|
has exact synonym |
4-[(1R)-1-hydroxy-2-{[4-(4-hydroxyphenyl)butyl]amino}ethyl]benzene-1,2-diol |
|
has role | ||
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
arbutamina arbutaminum arbutamine |
|
id |
CHEBI:50580 |
|
in_subset | ||
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 |
|
label |
arbutamine |
|
mass |
317.37956 |
|
monoisotopicmass |
317.16271 |
|
notation |
CHEBI:50580 |
|
prefLabel |
arbutamine |
|
smiles |
O[C@@H](CNCCCCc1ccc(O)cc1)c1ccc(O)c(O)c1 |
|
subClassOf |
Create mapping