Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00396)
Name
Mepenzolate
Synonyms    Click to Show/Hide the Synonyms of This API
mepenzolate; Mepenzolic acid; 25990-43-6; Glycophenylate; Cantril; Mepenzolon; (1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate; 1-Methyl-3-piperidyl benzilate methyl bromide; racemic mepenzolate; (plusmn)-mepenzolate; Piperidinium, 3-hydroxy-1,1-dimethyl-, benzilate (ester); Spectrum_000985; Prestwick0_000653; Prestwick1_000653; Prestwick2_000653; Prestwick3_000653; Spectrum2_001042; Spectrum3_000490; Spectrum4_000042; Spectrum5_000948; BSPBio_000685; BSPBio_001959; KBioGR_000503; KBioSS_001465; DivK1c_000636; SPBio_000964; SPBio_002606; BPBio1_000755; CHEMBL524004; SCHEMBL2994933; DTXSID2046969; CHEBI:94411; GTPL10470; KBio1_000636; KBio2_001465; KBio2_004033; KBio2_006601; KBio3_001459; NINDS_000636; Piperidinium, 3-[(hydroxydiphenylacetyl)oxy]-1,1-dimethyl-; BDBM50377964; Piperidinium, 3-((hydroxydiphenylacetyl)oxy)-1,1-dimethyl- (VAN); DB04843; IDI1_000636; NCGC00178896-01; NCGC00178896-02; SBI-0051436.P003; AB00053804; C07818; AB00053804_09; Q6817797; BRD-A62421304-004-05-6; (1,1-dimethylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate; 3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-1,1-dimethylpiperidin-1-ium; 2-hydroxy-2,2-diphenylacetic acid (1,1-dimethyl-3-piperidin-1-iumyl) ester
Clinical Status
Approved
Disease Indication Peptic ulcer ICD-11: DA61 [1]
PubChem CID
4057
Formula
C21H26NO3+
Canonical SMILES
C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C
InChI
1S/C21H26NO3/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19,24H,9,14-16H2,1-2H3/q+1
InChIKey
GKNPSSNBBWDAGH-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=4057"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 340.4 Topological Polar Surface Area 46.5
XlogP 3.2 Complexity 432
Heavy Atom Count 25 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Full List of Drug Formulations (DFMs) Containing This API
          Mepenzolate 25 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; Fd&c yellow no. 5; Magnesium stearate; Sucrose; Cellulose, microcrystalline; Starch, corn
                   Dosage Form Oral Tablet
                   Company Sanofi-Aventis
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Hydrazine yellow DIG Info GABA(A) receptor alpha-1 (IC50 = 13 uM) [2]
Magnesium stearate DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
References
1 FDA label for approved dimenhydrinate 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.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.