Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00239
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| Drug Name |
Digitoxin
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| Synonyms |
5.beta.-Card-20(22)-enolide, 3.beta.,14-dihydroxy-, 3-[tris-(digitoxoside)]; Acedoxin; Asthenthilo; Cardidigin; Cardigin; Cardiolanata; Carditalin; Carditoxin; Coramedan; Cristapurat; Crystalline digitalin; Crystodigin; Crystodigin (TN); De-Tone; Digicor; Digilanid; Digilong; Digimed; Digimerck; Digipural; Digisidin; Digitalin, crystalline; Digitaline (TN); Digitaline cristallisee; Digitaline nativelle; Digitalinum verum; Digitoksim; Digitoksin; Digitophyllin; Digitossina; Digitossina [DCIT]; Digitoxigenin tridigitoxoside; Digitoxigenin-tridigitoxosid; Digitoxigenin-tridigitoxosid [German]; Digitoxin (JP15/USP/INN); Digitoxin [INN:BAN:JAN]; Digitoxina; Digitoxina [INN-Spanish]; Digitoxine; Digitoxine [INN-French]; Digitoxinum; Digitoxinum [INN-Latin]; Digitoxoside; Digitoxosidum; Digitrin; Ditaven; Glucodigin; Inhibits Na+/K+ ATPase; LT00244784; Lanatoxin; Lanostabil; Mono-digitoxid; Mono-digitoxid [German]; Mono-glycocard; Monodigitoxoside; Myodigin; Natigal; Pandigal; Panlanat; Purodigin; Purodigin, crystalline; Purpurid; Tardigal; Tri-digitoxoside; Tri-digitoxoside [German]; Unidigin
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| Drug Type |
Small molecular drug
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| Indication | Kidney disorder [ICD11:GB90] | Approved | [1] | |||
| Heart failure [ICD11:BD1Z] | Approved | [1] | ||||
| Therapeutic Class |
Antiarrhythmic Agents
|
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C41H64O13
|
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| Canonical SMILES |
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O
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| 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 |
WDJUZGPOPHTGOT-XUDUSOBPSA-N
|
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| CAS Number |
CAS 71-63-6
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| Pharmaceutical Properties | Molecular Weight | 764.9 | Topological Polar Surface Area | 183 | ||
| Heavy Atom Count | 54 | Rotatable Bond Count | 7 | |||
| Hydrogen Bond Donor Count | 5 | Hydrogen Bond Acceptor Count | 13 | |||
| XLogP |
2.3
|
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| PubChem CID | ||||||
| PubChem SID |
10298760
,103556970
,104624909
,11533060
,12015761
,124573763
,127284350
,127284351
,127303961
,127303962
,127303963
,127303964
,127303965
,127303966
,127303967
,127303968
,127303969
,127303970
,134337444
,134972304
,135377837
,135756584
,137004198
,14889043
,16335905
,24434759
,24893976
,26754429
,29204037
,3139545
,36885098
,46506035
,47349645
,48169692
,48318721
,48394206
,48415893
,48496158
,50109842
,50333813
,53787897
,57287891
,57403584
,7847363
,7979082
,85300744
,85842716
,87567202
,9170
,92298457
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| ChEBI ID |
ChEBI:28544
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Digitoxin was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | The association of ABCB1 polymorphisms and elevated serum digitoxin concentrations in geriatric patients. Eur J Clin Pharmacol. 2008 Apr;64(4):367-72. | |||||
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