Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01008)
Name
Dipivefrin
Synonyms    Click to Show/Hide the Synonyms of This API
dipivefrin; Dipivefrine; 52365-63-6; Dipivefrinum; Dipivefrina; dipivalyl epinephrine; Dipivefrin [USAN]; Dipivefrine (INN); Dipivefrin (USAN); CHEBI:4646; Dipivefrine [INN]; 1-(3',4'-dipivaloyloxyphenyl)-2-methylamino-1-ethanol; 4-[1-hydroxy-2-(methylamino)ethyl]-o-phenylene divavalate; Dipivefrinum [INN-Latin]; Dipivefrina [INN-Spanish]; 4-(1-hydroxy-2-(methylamino)ethyl)-1,2-phenylene bis(2,2-dimethylpropanoate); K 30081; 4-(1-Hydroxy-2-(methylamino)ethyl)-1,2-phenylen dipivalat; 4-[1-Hydroxy-2-(methylamino)ethyl]-1,2-phenylene bis(2,2-dimethylpropanoate); (+-)-3,4-Dihydroxy-alpha-((methylamino)methyl)benzyl alcohol 3,4-dipivalate; (RS)-4-(1-Hydroxy-2-(methylamino)ethyl)-1,2-phenylen dipivalat; Prestwick0_000632; Prestwick1_000632; Prestwick2_000632; Prestwick3_000632; Propanoic acid, 2,2-dimethyl-, 4-(1-hydroxy-2-(methylamino)ethyl)-1,2-phenylene ester, (+-)-; SCHEMBL24713; BSPBio_000624; SPBio_002843; BPBio1_000688; GTPL7166; CHEMBL1201262; DTXSID1048544; (+-)-4-(1-Hydroxy-2-methylaminoethyl)-o-phenylendipivalat; (+-)-4-[1-hydroxy-2-(methylamino)ethyl]-o-phenylene divavalate; 8109AH; DB00449; (+-)-2,2-Dimethylpropansaeure-4-(1-hydroxy-2-(methylamino)ethyl)-1,2-phenylenester; 2,2-Dimethylpropanoic acid 4-[1-hydroxy-2-(methylamino)ethyl]-1,2-phenylene ester; 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diyl bis(2,2-dimethylpropanoate); NCGC00179499-01; NCGC00179499-05; AB00514686; FT-0745765; C06963; D02349; 365D636; L000915; Q905952; BRD-A47494775-003-03-0; (+/-)-4-[1-hydroxy-2-(methylamino)ethyl]-o-phenylene divavalate; Bispivalic acid 4-[1-hydroxy-2-(methylamino)ethyl]-1,2-phenylene ester; 2-[(2,2-dimethylpropanoyl)oxy]-4-[1-hydroxy-2-(methylamino)ethyl]phenyl 2,2-dimethylpropanoate; 2-[(2,2-dimethylpropanoyl)oxy]-5-[1-hydroxy-2-(methylamino)ethyl]phenyl 2,2-dimethylpropanoate
Clinical Status
Approved
PubChem CID
3105
Formula
C19H29NO5
Canonical SMILES
CC(C)(C)C(=O)OC1=C(C=C(C=C1)C(CNC)O)OC(=O)C(C)(C)C
InChI
1S/C19H29NO5/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3
InChIKey
OCUJLLGVOUDECM-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=3105"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 351.4 Topological Polar Surface Area 84.9
XlogP 2.9 Complexity 463
Heavy Atom Count 25 Rotatable Bond Count 9
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6
Full List of Drug Formulations (DFMs) Containing This API
          Dipivefrin 0.1% solution 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
Benzalkonium Chloride; Edetate Disodium; Sodium Chloride; Hydrochloric Acid; Purified Water
                   Dosage Form Solution
                   Company Allergan Pharmaceutical
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Hydrochloric acid DIG Info Carbonic anhydrase V (Ki = 156 nM) [1]
Benzalkonium chloride DIG Info Solute carrier SLCO2B1 (Ki = 62.1 uM) [2]
References
1 Carbonic anhydrase inhibitors. Inhibition of the newly isolated murine isozyme XIII with anions. Bioorg Med Chem Lett. 2004 Nov 1; 14(21):5435-9.
2 Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives. Proc Natl Acad Sci U S A. 2020 Jul 7;117(27):16009-16018.

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