loading...| Preferred Name |
bisoprolol fumarate |
|
| Synonyms |
bis{1-{4-[(2-isopropoxyethoxy)methyl]phenoxy}-3-(isopropylamino)propan-2-ol} (2E)-but-2-enedioic acid (+-)-1-((alpha-(2-Isopropoxyethoxy)-p-tolyl)oxy)-3-(isopropylamino)-2-propanol fumarate (2:1) (salt) (+-)-1-(p-((2-Isopropoxyethoxy)methyl)phenoxy)-3-isopropylamino-2-propanol hemifumarate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3128 |
|
| charge |
0 |
|
| database_cross_reference |
CAS:104344-23-2 KEGG:D00634 Beilstein:6049645 DrugBank:DB00612 |
|
| formula |
(C18H31NO4)2.C4H4O4 |
|
| has part | ||
| has_exact_synonym |
bis{1-{4-[(2-isopropoxyethoxy)methyl]phenoxy}-3-(isopropylamino)propan-2-ol} (2E)-but-2-enedioic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(+-)-1-((alpha-(2-Isopropoxyethoxy)-p-tolyl)oxy)-3-(isopropylamino)-2-propanol fumarate (2:1) (salt) (+-)-1-(p-((2-Isopropoxyethoxy)methyl)phenoxy)-3-isopropylamino-2-propanol hemifumarate |
|
| id |
CHEBI:3128 |
|
| in_subset | ||
| inchi |
InChI=1S/2C18H31NO4.C4H4O4/c2*1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4;5-3(6)1-2-4(7)8/h2*5-8,14-15,17,19-20H,9-13H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+ |
|
| inchikey |
VMDFASMUILANOL-WXXKFALUSA-N |
|
| label |
bisoprolol fumarate |
|
| mass |
766.95832 |
|
| monoisotopicmass |
766.46158 |
|
| notation |
CHEBI:3128 |
|
| prefLabel |
bisoprolol fumarate |
|
| smiles |
[H+].[H+].[O-]C(=O)\C=C\C([O-])=O.CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1 |
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| treeView | ||
| subClassOf |