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The Drug-Drug Interactions Ontology
| Preferred Name | digitoxin | |
| Synonyms |
C41H64O13 4-[(1S,2S,5S,7R,10R,11S,14R,15R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2,5-dihydrofuran-2-one |
|
| ID |
http://purl.obolibrary.org/obo/dinto_DB01396 |
|
| AHFScode |
92:02.00*
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|
| ATCCode |
C01AA01 C01AA04
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|
| binds |
http://purl.obolibrary.org/obo/dinto_1805 http://purl.obolibrary.org/obo/dinto_2664 http://purl.obolibrary.org/obo/dinto_1987 http://purl.obolibrary.org/obo/dinto_0266 http://purl.obolibrary.org/obo/dinto_0217 |
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| CASRN |
71-63-6
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|
| DBBrand |
crystodigin tardigal
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|
| DBSynonym |
digitoxinum digitoxoside digitoksin
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|
| Definition |
A cardiac glycoside sometimes used in place of digoxin. It has a longer half-life than digoxin; toxic effects, which are similar to those of digoxin, are longer lasting. (From Martindale, The Extra Pharmacopoeia, 30th ed, p665)
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|
| has pharmacological target | ||
| InChI |
InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
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|
| InChIKey |
InChIKey=WDJUZGPOPHTGOT-XUDUSOBPSA-N
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|
| inhibits |
http://purl.obolibrary.org/obo/dinto_1805 |
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| is metabolised by | ||
| is substrate of | ||
| is transported by | ||
| label |
digitoxin
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|
| may interact with |
http://purl.obolibrary.org/obo/CHEBI_9948 http://purl.obolibrary.org/obo/CHEBI_3213 http://purl.obolibrary.org/obo/CHEBI_64354 http://purl.obolibrary.org/obo/CHEBI_5893 http://purl.obolibrary.org/obo/dinto_DB00582 http://purl.obolibrary.org/obo/dinto_DB00310 http://purl.obolibrary.org/obo/CHEBI_3013 http://purl.obolibrary.org/obo/CHEBI_28593 http://purl.obolibrary.org/obo/CHEBI_4876 http://purl.obolibrary.org/obo/dinto_DB00999 http://purl.obolibrary.org/obo/CHEBI_47426 |
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| prefixIRI |
obo2:dinto_DB01396
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|
| prefLabel |
digitoxin
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|
| related with | ||
| SMILES |
[H][C@]12CC[C@]3([H])[C@]([H])(CC[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
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| Synonym |
C41H64O13 4-[(1S,2S,5S,7R,10R,11S,14R,15R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2,5-dihydrofuran-2-one
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| xref |
PubChem Compound:441207 ChEBI:28544 PharmGKB:PA449316 ChemSpider:389987 Wikipedia:http://en.wikipedia.org/wiki/Digitoxin PubChem Substance:46506035 Drugs Product Database (DPD):2236621
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| subClassOf |
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