Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00059
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| Drug Name |
Tolvaptan
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| Synonyms |
(-)-4'-((7-Chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl)-o-tolu-m-toluidide; 7-Chloro-5-hydroxy-1-(2-methyl-4-(2-methylbenzoylamino)benzoyl)2,3,4,5-tetrahydro-1H-1-benzazepine; Benzazepine derivative, 32; N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide; OPC 41061; OPC-41061; Samsca; Samsca (TN)
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| Drug Type |
Small molecular drug
|
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| Indication | Euvolaemic hyponatraemia [ICD11:5C72] | Approved | [1] | |||
| Hypervolaemic hyponatraemia [ICD11:5C72] | Approved | [1] | ||||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C26H25ClN2O3
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| Canonical SMILES |
CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)O)C
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| InChI |
InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)
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| InChIKey |
GYHCTFXIZSNGJT-UHFFFAOYSA-N
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| CAS Number |
CAS 150683-30-0
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| Pharmaceutical Properties | Molecular Weight | 448.9 | Topological Polar Surface Area | 69.6 | ||
| Heavy Atom Count | 32 | Rotatable Bond Count | 3 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 3 | |||
| XLogP |
4.8
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| PubChem CID | ||||||
| PubChem SID |
103375036
,103991970
,113461194
,12015154
,124894207
,125341597
,126624049
,126646501
,126667032
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,134338710
,134340568
,135135410
,135651270
,135692541
,137249406
,138069831
,144206807
,14833208
,152134154
,160827363
,162038188
,162172255
,163093186
,163391946
,163884836
,172085105
,172914598
,175424760
,179149970
,187072445
,196109765
,198993114
,204366097
,208265503
,211536279
,223383397
,223659992
,224337427
,226592757
,242060063
,30419982
,47510146
,47657166
,51204548
,53789150
,57399753
,85210210
,85856516
,9372812
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| ChEBI ID |
CHEBI:32246
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Tolvaptan was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | In vitro P-glycoprotein interactions and steady-state pharmacokinetic interactions between tolvaptan and digoxin in healthy subjects. J Clin Pharmacol. 2011 May;51(5):761-9. | |||||
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