Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00688)
Name
Tolvaptan
Synonyms    Click to Show/Hide the Synonyms of This API
Tolvaptan; 150683-30-0; Samsca; OPC-41061; OPC 41061; N-(4-(7-Chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)-3-methylphenyl)-2-methylbenzamide; N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide; Tolvaptan (OPC-41061); CHEMBL344159; NCGC00183001-01; C26H25ClN2O3; Benzamide, N-(4-((7-chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl)-3-methylphenyl)-2-methyl-; N-(4-(7-Chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-benzo[b]-azepine-1-carbonyl)-3-methylphenyl)-2-methylbenzamide; benzazepine derivative, 32; Tolvaptan [USAN:INN:BAN]; HSDB 8196; Benzamide, N-[4-[(7-chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methyl-; 7-Chloro-5-hydroxy-1-(2-methyl-4-(2-methylbenzoylamino)benzoyl)2,3,4,5-tetrahydro-1H-1-benzazepine; DSSTox_CID_28706; DSSTox_RID_82975; DSSTox_GSID_48780; SCHEMBL242421; GTPL2226; DTXSID3048780; BDBM35723; CHEBI:32246; OPC-41061(TOLVAPTAN); HMS3604L08; HMS3656K20; HMS3744A09; N-[4-[(7-Chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide; Tox21_113256; ANW-59865; CT0200; MFCD09837707; PDSP1_001738; PDSP2_001721; AKOS015994735; Tolvaptan, >=98% (HPLC), powder; CCG-269223; CS-0572; KS-1315; AC-22748; AK-33401; HY-17000; AB0009995; AM20090726; CAS-150683-30-0; FT-0675287; FT-0675288; SW219182-1; AB01565822_02; 683T300; L001628; Q426132; SR-01000942265; SR-01000942265-1; H-D-PHE-PRO-ARG-5-AMIDO-ISOPHTHALICACID-DIMETHYLESTERACETATESALT; (+-)-4'-((7-Chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl) carbonyl)-o-tolu-m-toluidide; (+-)-4'-((7-Chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl)-o-tolu-m-toluidide; 5-hydroxy-7-chloro-1-[2-methyl-4-(2-methylbenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1h-benzazepine; 7-chloro-5-hydroxy-1-[2-methyl-4-(2-methyl benzoyl amino) benzoyl]-2,3,4,5-tetrahydro-1H-1-benzazepine; 7-chloro-5-hydroxy-1-[2-methyl-4-(2-methylbenzoylamino) benzoyl]-2,3,4,5-tetrahydro-1H-1-benzazepine; 7-chloro-5-hydroxy-1-[2-methyl-4-(2-methylbenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1H-1-benzazepine; N-[4-(7-Chloro-5-hydroxy-2,3,4,5-tetrahydro-benzo[b]azepine-1-carbonyl)-3-methyl-phenyl]-2-methyl-benzamide; N-[4-(7-chloro-5-hydroxy2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]-2-methylbenzamide
Clinical Status
Approved
Disease Indication Hyponatraemia ICD-11: 5C72 [1]
PubChem CID
216237
Formula
C26H25ClN2O3
Canonical SMILES
CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)O)C
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)
InChIKey
GYHCTFXIZSNGJT-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=216237"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 448.9 Topological Polar Surface Area 69.6
XlogP 4.8 Complexity 674
Heavy Atom Count 32 Rotatable Bond Count 3
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Full List of Drug Formulations (DFMs) Containing This API
          Tolvaptan 15 mg tablet Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Lactose monohydrate; Fd&c blue no. 2; Magnesium stearate; Aluminum oxide; Hydroxypropyl cellulose (1200000 mw); Low-substituted hydroxypropyl cellulose, unspecified; Microcrystalline cellulose; Starch, corn
                   Dosage Form Oral Tablet
                   Company Otsuka America Pharmaceutical
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
FD&C blue no. 2 DIG Info Adenosine receptor A3 (IC50 = 1 uM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
References
1 FDA label for approved tolvaptan from the official website of the U.S. Food and Drug Administration.
2 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
3 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.

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