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isomerdesign

Diphenoxylate

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Diphenoxylate

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Diphenoxylate

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Diphenoxylate

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Data

InChI: InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3

Synonyms: Lomotil,Diphenoxylate [INN:BAN], Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate, Difenossilato [DCIT], 4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, Diphenoxylatum [Latin],CHEMBL1201294,GTPL7164,4-ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile, Diphenoxylate hydrochloride,1-(3-CYANO-3,3-DIPHENYLPROPYL)-4-PHENYLPIPERIDINE-4-CARBOXYLIC ACID ETHYL ESTER, 4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester (9CI),Difenoxilato [Spanish],BDBM50401672, 2,2-Diphenyl-4-(4-carbethoxy-4-phenylpiperidino)butyronitrile,DIPHENOXYLATE [INN],Difenossilato [DCIT], 1-(3-Cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid ethyl ester hydrochloride,1-(3-Cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid ethyl ester,EINECS 213-020-1, Diphenoxalate,BRN 0503374, Diphenoxylate (INN),ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate,DIPHENOXYLATE [MI],2,2-Diphenyl-4-(4-carbethoxy-4-phenylpiperidino)butyronitrile,DEA No. 9170, R 1132,AB00698456-07,Ethyl 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidine-4-carboxylate, 1-(3-Cyano-3,3-diphenylpropyl)-4-phenyl-isonipecotic acid ethyl ester,DIPHENOXYLATE,Difenoxilato [INN-Spanish],SCHEMBL42940, Difenoxilato, Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate monohydrochloride, Diphenoxylate Monohydrochloride,NCGC00167963-02,C07872, 1-(3-cyano-3,3-diphenylpropyl)-4-(ethoxycarbonyl)-4-phenylpiperidinium chloride, Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, hydrochloride, Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylate, R-1132,DTXSID8022951,AKOS005065925,915D300,Q416431,915-30-0,IDS-ND-016,CHEBI:4639,DIPHENOXYLATE [HSDB],Diphenoxylate (INN),Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylate #, R 1132 (antiperistaltic),4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, 4-Ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile, hydrochloride,Diphenoxylat,DIPHENOXYLATE [VANDF],NCGC00167963-01,D07861,Diphenoxylate,UNII-73312P173G,Diphenoxylate; Diphenoxylate hydrochloride; Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate,R-1132, Difenoxilato [INN-Spanish], Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester,Diphenoxylatum [Latin],Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester,Difenoxilato, Diphenoxylate [INN:BAN],DB01081,5-22-02-00487 (Beilstein Handbook Reference), Diphenoxylate hydrochloride(usp), NIH 7562, Diphenoxylatum [INN-Latin], 1-(3-Cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid ethyl ester, Co-phenotrope (TN),Ethyl-1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate,L001046,73312P173G, Diphenoxylate hydrochloride (USP), Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride,ZINC3830716, Diphenoxylatum, 4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester, monohydrochloride,Difenossilato, Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride,DIPHENOXYLATE [WHO-DD],Diphenoxylatum,HSDB 3067,1-(3-Cyano-3,3-diphenylpropyl)-4-phenyl-isonipecotic acid ethyl ester,Diphenoxalate, Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate, Difenoxilato [Spanish],Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylate,Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate,NIH 7562, 4-ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile hydrochloride,DB-057259,Diphenoxylatum [INN-Latin], Diphenoxylate HCl

Estimated data

Solubility: -6.451 (log(S) in mol/L prediction using SolTranNet)

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

Addictivity Prediction: 85.3% (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.