Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00867)
Name
Bempedoic acid
Synonyms    Click to Show/Hide the Synonyms of This API
bempedoic acid; ETC-1002; 738606-46-7; 8-Hydroxy-2,2,14,14-tetramethylpentadecanedioic acid; Nexletol; ESP-55016; Nilemdo; ETC1002; UNII-1EJ6Z6Q368; ETC 1002; ESP 55016; 1EJ6Z6Q368; ETC-1002;ESP-55016; Bempedoate; Bempedoic acid [USAN:INN]; bempedoic-acid; Bempedoic acid; ESP-55016; acido bempedoico; acide bempedoique; acidum bempedoicum; Nexletol (TN); Bempedoic acid (USAN/INN); SCHEMBL185768; GTPL8321; CHEMBL3545313; CHEBI:149601; AMY31933; BCP16083; ESP55016; EX-A1243; ZINC3948738; MFCD18800820; s7953; AKOS027439916; CCG-267969; CS-3952; DB11936; AC-29040; AK499358; AS-49804; HY-12357; Bempedoic Acid(ETC-1002;ESP-55016); DB-108321; D10691; Q27075007; Pentadecanedioic acid, 8-hydroxy-2,2,14,14-tetramethyl-
Clinical Status
Approved
PubChem CID
10472693
Formula
C19H36O5
Canonical SMILES
CC(C)(CCCCCC(CCCCCC(C)(C)C(=O)O)O)C(=O)O
InChI
1S/C19H36O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h15,20H,5-14H2,1-4H3,(H,21,22)(H,23,24)
InChIKey
HYHMLYSLQUKXKP-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=10472693"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 344.5 Topological Polar Surface Area 94.8
XlogP 4.8 Complexity 351
Heavy Atom Count 24 Rotatable Bond Count 14
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Full List of Drug Formulations (DFMs) Containing This API
          Bempedoic Acid 180mg 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
Colloidal Silicon Dioxide; Hydroxyl Propyl Cellulose; Lactose Monohydrate; Magnesium Stearate; Microcrystalline Cellulose; Sodium Starch Glycolate; Partially Hydrolyzed Polyvinyl Alcohol; Polyethylene Glycol; Talc; Titanium Dioxide
                   Dosage Form Tablet
                   Company Esperion Theraps
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Hydroxypropyl cellulose DIG Info Mephenytoin 4-hydroxylase (EC50 = 89.5 uM) [1]
Polyvinyl alcohol DIG Info Debrisoquine 4-hydroxylase (EC50 = 354.8 uM) [1]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [2]
Polyethylene glycol 4000 DIG Info Albendazole monooxygenase (Inhibition ratio < 40 %) [3]
References
1 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
2 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.
3 Pharmaceutical excipients inhibit cytochrome P450 activity in cell free systems and after systemic administration. Eur J Pharm Biopharm. 2008 Sep;70(1):279-88.

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