WHC is still in active development. Read this to understand our approach.
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isomerdesign

Benactyzine

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Benactyzine

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Benactyzine

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Benactyzine

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Data

InChI: InChI=1S/C20H25NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3

Synonyms: 595EG71R3F,BENACTYZINE [VANDF],STL509562,2-hydroxy-2,2-diphenylacetic acid 2-(diethylamino)ethyl ester,NCGC00159434-04, 302-40-9,Benzeneacetic acid, .alpha.-hydroxy-.alpha.-phenyl-, 2-(diethylamino)ethyl ester,CAS-302-40-9,ZINC1734034,Benzilic acid .beta.-diethylaminoethyl ester,Diethylaminoethyl benzilate, Benactyzine [INN:BAN],DSSTox_GSID_22644,2-(Diethylamino)ethyl hydroxy(diphenyl)acetate #,2-Diethylaminoethyl benizilate,2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate,.beta.-Diethylaminoethyl benzilate,Fortran,Benacticina,Q4083674,2-(Diethylamino)ethyl diphenylglycolate,Diphenylglycolic acid 2-(diethylamino)ethyl ester,BENACTYZINE [WHO-DD],Benactizina [Italian],Hydroxy-diphenyl-acetic acid 2-diethylamino-ethyl ester(benactyzine),AKOS037490135,UNII-595EG71R3F,BENACTYZINE,Diazil,DSSTox_RID_76672,Diazil; Diethylaminoethyl benzilate; beta-Diethylaminoethyl benzilate,Benactyzin,Tox21_111665_1, 2-Diethylaminoethyl benzilate, Benactizina [Italian],BENACTYZINE [MI],Benacticina [INN-Spanish],Benactyzine,Benactyzine (INN),BENACTYZINE [INN],.alpha.-Hydroxy-.alpha.-phenylbenzeneacetic acid 2-(diethylamino)ethyl ester,Tox21_111665, BRN 2156821,4-10-00-01263 (Beilstein Handbook Reference),HSDB 3292,2-(Diethylamino)ethyl hydroxy(diphenyl)acetate, Benacticina [INN-Spanish],Benactizina, Benzilic acid, 2-(diethylamino)ethyl ester, 2-(Diethylamino)ethyl benzilate,302-40-9, Benactizina,2-Diethylaminoethyl benzilate,BRN 2156821, Benzactyzine, EINECS 206-123-8,2-Diethylaminoethyl-2-hydroxy-2,2-diphenyl acetate,CHEMBL70352,Benzactyzine, Diethylaminoethyl benzilate,SCHEMBL49077,Benactyzine [INN:BAN],Benactyzinum,BENACTYZINE [HSDB],Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-(diethylamino)ethyl ester,DB09023, HSDB 3292,NCGC00159434-03,Benactizina [DCIT], Benzilic acid beta-diethylaminoethyl ester, Benactyzinum [INN-Latin], Diphenylglycolic acid 2-(diethylamino)ethyl ester,Benactyzinum [INN-Latin],Diethyl(2-hydroxyethyl)amine benzilate, 2-(Diethylamino)ethyl diphenylglycolate, Benactizina [DCIT],BDBM50144504,D07498,DTXSID0022644,Benzilic acid, 2-(diethylamino)ethyl ester,alpha-Hydroxy-alpha-phenylbenzeneacetic acid 2-(diethylamino)ethyl ester, UNII-595EG71R3F,CHEBI:94775,EN300-22905669,Benzilic acid beta-diethylaminoethyl ester,NCGC00159434-02, Benactyzin, CHEMBL70352,2-(Diethylamino)ethyl benzilate,Z242331154,302B409,EINECS 206-123-8,Hydroxy-diphenyl-acetic acid 2-diethylamino-ethyl ester,DSSTox_CID_2644

Estimated data

Solubility: -2.756 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: Yes (prediction using frontiersin.org)

Addictivity Prediction: 67.3% (prediction based on www.mdpi.com)

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.