loading...| Preferred Name |
digoxin |
|
| Synonyms |
(3beta,5beta,12beta)-3-{[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide 12beta-hydroxydigitoxin digoxin |
|
| Definitions |
A cardenolide glycoside that is digitoxin beta-hydroxylated at C-12. A cardiac glycoside extracted from the foxglove plant, Digitalis lanata, it is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation, but the margin between toxic and therapeutic doses is small. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_4551 |
|
| charge |
0 |
|
| database_cross_reference |
Wikipedia:Digoxin CAS:20830-75-5 PMID:10438974 PDBeChem:DGX PMID:7739045 PMID:16970134 Drug_Central:882 KNApSAcK:C00003618 DrugBank:DB00390 KEGG:C06956 PMID:8234291 Reaxys:77011 Beilstein:77011 PDB:1IGJ KEGG:D00298 |
|
| definition |
A cardenolide glycoside that is digitoxin beta-hydroxylated at C-12. A cardiac glycoside extracted from the foxglove plant, Digitalis lanata, it is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation, but the margin between toxic and therapeutic doses is small. |
|
| formula |
C41H64O14 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_38070 http://purl.obolibrary.org/obo/CHEBI_63510 |
|
| has_alternative_id |
CHEBI:616935 CHEBI:41856 CHEBI:569365 |
|
| has_exact_synonym |
(3beta,5beta,12beta)-3-{[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
12beta-hydroxydigitoxin digoxin |
|
| id |
CHEBI:4551 |
|
| in_subset | ||
| inchi |
InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1 |
|
| inchikey |
LTMHDMANZUZIPE-PUGKRICDSA-N |
|
| is conjugate acid of | ||
| label |
digoxin |
|
| mass |
780.93850 |
|
| monoisotopicmass |
780.42961 |
|
| notation |
CHEBI:4551 |
|
| prefLabel |
digoxin |
|
| smiles |
[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1 |
|
| treeView | ||
| subClassOf |