WHC is still in active development. Read this to understand our approach.
depiction of QZVCTJOXCFMACW-UHFFFAOYSA-N.svg
isomerdesign

Phenoxybenzamine

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pubchem

Phenoxybenzamine

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drugmap

Phenoxybenzamine

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Data

InChI: InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3

Synonyms: KBio2_005754,GTPL7268, N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine,Bensylyt,CHEMBL753,Phenoxybenzamine (INN),NCGC00015121-03,Phenoxybenzaminum,HMS1990P19,BPBio1_001000,HMS1362P19, POB HCl,0TTZ664R7Z, Dibenzylin, 688A,(+/-)-PHENOXYBENZAMINE,Phenoxybenzamine,Fenoxibenzamina,NCGC00015121-07,NCGC00089748-03,688A,NINDS_000800, Bensylyte,PHENOXYBENZAMINE [HSDB], Dibenziran,SCHEMBL5722, N-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)benzenemethanamine,4-12-00-02204 (Beilstein Handbook Reference), Dibenzyline (TN), Phenoxybenzamine (INN),Spectrum_000378,DTXSID0023458,C07435,HMS3403P19,N-Phenoxyisopropyl-N-benzyl-beta-chloroethylamine, Dibenzylene,HSDB 4005,KBioGR_000618,L001197,Fenossibenzamina, Fenossibenzamina,HY-B0431,Spectrum2_001815, Phenoxybenzamine Hcl,Tox21_110087,Benzyl(2-chloroethyl)-(1-methyl-2-phenoxyethyl)amine, Fenoxibenzamina,CHEBI:8077,Fenossibenzamina [DCIT],DivK1c_000800,SPBio_003067,AB00053702_13,Q419824,KBio3_001095,Bensylyte,KBio2_003186,NCGC00015121-05, N-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)benzylamine,AC-13214,DSSTox_CID_3458,KBio3_001096,FT-0778642,PHENOXYBENZAMINE [MI],Prestwick1_000944,NCGC00015121-16,KBio2_000858,N-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)benzylamine,DB00925,PHENOXYBENZAMINE [VANDF],Benzenemethanamine, N-(2-chloroethyl)-N-(1-methyl-2-phenoxyethyl)-,BSPBio_002356,BRN 2129697,Prestwick2_000944,NCGC00015121-14,AB00053702_14,Bio2_000479, Dibenylin,Fenoxibenzamina [INN-Spanish],Benzylamine, N-(2-chloroethyl)-N-(1-methyl-2-phenoxyethyl)-,59-96-1 (free),102737-84-8,NCGC00015121-04,N-Phenoxyisopropyl-N-benzyl-.beta.-chloroethylamine,NCGC00015121-06, Bensylyt NEN,N-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)benzenemethanamine,KBio2_000618,DSSTox_GSID_23458, Fenoxibenzamina [INN-Spanish],AB00053702,59-96-1,Bensylit,BSPBio_000908,KBioSS_000858,BDBM50017679,Phenoxybenzaminum [INN-Latin],Prestwick0_000944, Dibenylene,CCRIS 505,CCG-204330, Benzylyt,NSC 37448,CAS-59-96-1, N-(2-chloroethyl)-N-(phenylmethyl)-1-(phenyloxy)propan-2-amine,SB82886,SBI-0050223.P003,Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)-amine,D08358,phenoxybenzamine,EINECS 200-446-8,Phenoxybenzamine [INN:BAN], N-Phenoxyisopropyl-N-benzyl-beta-chloroethylamine, Dibenzyran,N-Benzyl-N-(2-chloroethyl)-1-phenoxy-2-propanamine #, Phenoxybenzaminum,N-(2-chloroethyl)-N-(phenylmethyl)-1-(phenyloxy)propan-2-amine,KBio2_003426,IDI1_000800,HMS1792P19,Benzylyt,IDI1_002234,Dibenyline,NCGC00015121-08,Spectrum4_000769,NCGC00089748-07,SDCCGSBI-0050223.P004,benzyl(2-chloroethyl)(1-phenoxypropan-2-yl)amine,Lopac0_000235,BSPBio_001278, Dibenyline,N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine,HMS2089J09, A 688,NCGC00015121-09,KBioGR_001158,Dibenzyline,Prestwick3_000944, 2-(N-Benzyl-2-chloroethylamino)-1-phenoxypropane,NCGC00015121-13,PHENOXYBENZAMINE [WHO-DD],DSSTox_RID_77034,NCGC00015121-17,NCGC00015121-11,Dibenylin,NCGC00089748-04,SPBio_001829,A 688,KBio1_000800,NCGC00015121-12,AB00053702-12,Spectrum5_001370,2-(N-Benzyl-2-chloroethylamino)-1-phenoxypropane,KBioSS_000618,AKOS015961144, Phenoxybenzaminum [INN-Latin],Bensylytutn,Bio2_000959,CS-0255342, Fenossibenzamina [DCIT],Q-201556,KBio2_005994,PHENOXYBENZAMINE [INN],UNII-0TTZ664R7Z,MRF-0000619,Dibenylene,NCGC00089748-05,EN300-57590, Benzyl(2-chloroethyl)-(1-methyl-2-phenoxyethyl)amine,N-benzyl-N-(2-chloroethyl)-1-phenoxy-propan-2-amine,Tox21_110087_1

Estimated data

Solubility: -3.798 (log(S) in mol/L prediction using SolTranNet)

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

Addictivity Prediction: 57.1% (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.