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loading...| Preferred Name |
arbutamine |
|
| Synonyms |
4-[(1R)-1-hydroxy-2-{[4-(4-hydroxyphenyl)butyl]amino}ethyl]benzene-1,2-diol arbutaminum arbutamina arbutamine |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50580 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:128470-16-6 DrugBank:DB01102 Wikipedia:Arbutamine KEGG:D02976 Patent:US5395970 Drug_Central:237 Patent:EP329464 Beilstein:7937544 |
|
| formula |
C18H23NO4 |
|
| has role | ||
| has_exact_synonym |
4-[(1R)-1-hydroxy-2-{[4-(4-hydroxyphenyl)butyl]amino}ethyl]benzene-1,2-diol |
|
| has_obo_namespace |
chebi_ontology |
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| has_related_synonym |
arbutaminum arbutamina arbutamine |
|
| has_RxCUI |
61609 |
|
| 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 |
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| notation |
CHEBI:50580 |
|
| prefixIRI |
CHEBI:50580 |
|
| prefLabel |
arbutamine |
|
| smiles |
O[C@@H](CNCCCCc1ccc(O)cc1)c1ccc(O)c(O)c1 |
|
| subClassOf |
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