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

Amitriptyline

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pubchem

Amitriptyline

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drugmap

Amitriptyline

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Amitriptyline

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Data

InChI: InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3

Synonyms: Amitriptylin [German],NCGC00015095-06,CHEMBL629,MRF-0000533, Amytriptiline,N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine,5-(.gamma.-Dimethylaminopropylidene)-5H-dibenzo(a,d)-10,11-dihydrocycloheptene, Amitril,BRN 2217885,NCGC00015095-14,NCGC00015095-11,10,11-Dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-delta(5),gamma-propylamine,Oprea1_479304,KBio3_001336, Elanil, Amytriptylin,CCRIS 9174,Prestwick2_000074,BRD-K53737926-003-05-4,Laroxyl,Spectrum4_000146,cMAP_000001, 5-(gamma-Dimethylaminopropylidene)-5H-dibenzo(a,d)(1,4)cycloheptadiene,DTXSID7022594,KBio2_000424,5-(3-Dimethylaminopropylidene)-5H-dibenzo[a,d]-10,11-dihydrocycloheptene, MK 230,KBio2_002261, Triptanol,Amitryptilin,AB00053417_14,BSPBio_000287,SCHEMBL7824,DB00321,NCGC00015095-02,NCGC00015095-08,EC 200-041-6,CCG-204207,Triptisol,FT-0653242, Amitriptylinum [INN-Latin],Laroxyl (Salt/Mix), 5-(gamma-Dimethylaminopropylidene)-5H-Dibenzo[a,d][1,4]cycloheptadiene,Adepril,BIDD:GT0115, Amitriptylin [German], Laroxyl (TN),KBio2_002992,BSPBio_001836, 5-(3-dimethylaminopropylidene)dibenzo[a,d][1,4]-cycloheptadiene,AmitriptylineMK-230, N-750, Ro41575,MK 230,Amitriptilina [Italian],DivK1c_000766,KBioGR_000592, Triptilin,3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-propylamine,Elavil,SBI-0050100.P004, Proheptadiene,Amytriptiline,50-48-6, Amitryptyline,Flavyl,3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine,Domical (Salt/Mix),Tryptanol,5-(3'-Dimethylaminopropylidene)-dibenzo-(a,d)(1,4)-cycloheptadiene,5-(gamma-Dimethylaminopropylidene)-5H-dibenzo(a,d)(1,4)cycloheptadiene, Amitriprolidine, 5-(gamma-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene,AB00053417-12,KBio2_004829,Sarotex,AMITRIPTYLINE [MI],3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine,NCGC00015095-07, Amitriptilina [INN-Spanish], Flavyl,NCGC00015095-09,AMITRIPTYLINE [WHO-DD],3-(10,11-Dihydro-5H-dibenzo-[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine, hydrochloride,Amitriptyline [INN:BAN],amitriptyline,10,11-dihydro-N,N-dimethl-5H-dibenzo[a,d]cycloheptene-(delta(5, gamma))-propylamine,Limbitrol,1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-,CAS-549-18-8,PDSP1_001564,Prestwick0_000074,BB 0305430,5-(.gamma.-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene, 5-(3'-Dimethylaminopropylidene)-dibenzo-[a,d][1,4]-cycloheptadiene,Vanatrip (Salt/Mix), Redomex, Adepril,Lentizol (Salt/Mix),NCGC00015095-05,Amitryptiline,10,11-Dihydro-5-(gamma-dimethylaminopropylidene)-5H-dibenzo(a,d)cycloheptene,C06824, Amitriptilina [Italian],412A072,KBio1_000766,Amitriptylin,5-(.gamma.-Dimethylaminopropylidene)-5H-Dibenzo[a,d][1,4]cycloheptadiene, Sarotex,5-(gamma-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene,BDBM50020712, 5-(3-Dimethylaminopropylidene)-5H-dibenzo[a,d]-10,11-dihydrocycloheptene,Lantron,Lopac0_000112,SDCCGSBI-0050100.P005,3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethylpropan-1-amine,3-(5,6-dihydrodibenzo[[?],[?]][7]annulen-11-ylidene)-N,N-dimethyl-propan-1-amine,CHEBI:2666, 5-(gamma-Dimethylaminopropylidine)-5H-dibenzo(a,d)(1,4)cycloheptadiene,Amitriptilina,HSDB 3007,Elanil,NSC169910,5-(3-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptatriene,BPBio1_000317,GTPL200,BCP09083, Seroten,IDI1_000766, Damilen, Amitriptylinum,N 750,NORTRIPTYLINE HYDROCHLORIDE IMPURITY F [EP IMPURITY],10,11-Dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-delta5,gamma-propylamine,Amitriptyline,dimethyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene]propyl})amine,5H-Dibenzo[a,d]cycloheptene-.delta.5,.gamma.-propylamine, 10,11-dihydro-N,N-dimethyl-, TP0,10,11-Dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-delta(sup 5),gamma-propylamine, Sylvemid,Triptanol,Damilan,5-(3-dimethylaminopropylidene)dibenzo[a,d][1,4]-cycloheptadiene,STK525215, 10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5H-dibenzo[a,d]cycloheptene, 5-(3'-Dimethylaminopropylidene)-dibenzo-(a,d)(1,4)-cycloheptadiene, Laroxil, 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yliden)-N,N-dimethylpropylamin,Amitriptylinum,KBio2_005560,1-Propanamine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-,AB00514631,5-(3-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene,dimethyl({3-[(2Z)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]propyl})amine, Ro 4-1575,SPBio_000082,Triptilin,Q58397, 5-(3-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptatriene,AMITRIPTYLINE [USP IMPURITY],5-(3'-Dimethylaminopropylidene)-dibenzo-[a,d][1,4]-cycloheptadiene,Amitriptylinum [INN-Latin],3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine,Laroxil, Damitriptyline,NCGC00015095-01, Elavil,AB00053417_13,D07448,Adepress, 10,11-Dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-delta(5),gamma-propylamine, Elavil (TN), 5-(3-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene,5-(gamma-Dimethylaminopropylidene)-5H-dibenzo[a,d]10,11-dihydrocycloheptene,NINDS_000766,5-(.gamma.-Dimethylaminopropylidine)-5H-dibenzo(a,d)(1,4)cycloheptadiene,Proheptadiene,KBioSS_002262,5H-Dibenzo(a,d)cycloheptene-.delta.(sup 5),.gamma.-propylamine, 10,11-dihydro-N,N-dimethyl-,Amitriptyline (INN),5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N,N-dimethyl-,Amitryptyline,SPBio_002208,NCGC00183047-01, Amitriptylin,Prestwick3_000074,1806D8D52K, Amitryptiline,Amitriptilina [INN-Spanish],Spectrum2_000101,NCGC00015095-26,AMITRIPTYLINE [INN],AMITRIPTYLINE [VANDF], Damilan,UNII-1806D8D52K,W-109252,3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-yliden)-N,N-dimethylpropylamin, Amitriptyline (INN),Amitriprolidine,KBioGR_002261, 5-(gamma-Dimethylaminopropylidene)-5H-dibenzo[a,d]10,11-dihydrocycloheptene,PDSP2_001548,KBioSS_000424, Laroxyl,Spectrum3_000298,Spectrum5_000806,Redomex,10,11-Dihydro-5-(.gamma.-dimethylaminopropylidene)-5H-dibenzo(a,d)cycloheptene, N 750,Prestwick1_000074,s5947,EINECS 200-041-6,10,11-Dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-.DELTA.5,.gamma.-propylamine, 10,11-Dihydro-5-(gamma-dimethylaminopropylidene)-5H-dibenzo(a,d)cycloheptene,NCGC00015095-12, Amitriptyline [INN:BAN], Lantron,KBio2_007397, Triptisol,Triptizol (Salt/Mix),KBio3_002741,5H-Dibenzo[a,d]cycloheptene-Delta5,gamma-propylamine, 10,11-dihydro-N,N-dimethyl- (6CI,8CI) 5-(gamma-Dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo[a,d]cycloheptene,Damitriptyline,NCGC00015095-03,Amytriptylin, Amitriptilina,Ro 4-1575, Tryptanol,Lopac-A-8404,L001041,AKOS000512694, [3-(10,11-Dihydro-dibenzo[a,d]cyclohepten-5-ylidene)-propyl]-dimethyl-amine,Seroten, 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine,5-(gamma-Dimethylaminopropylidene)-5H-Dibenzo[a,d][1,4]cycloheptadiene,10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5H-dibenzo[a,d]cycloheptene,ZINC968257,3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethyl-1-propanamine,Laroxyl (TN),5-(gamma-Dimethylaminopropylidine)-5H-dibenzo(a,d)(1,4)cycloheptadiene,BRD-K53737926-003-14-6,NCGC00015095-10,Spectrum_000044,NCGC00015095-04,AMITRIPTYLINE [MART.],NCGC00024433-04,Damilen,5H-Dibenzo(a,d)cycloheptene-delta5,gamma-propylamine, 10,11-dihydro-N,N-dimethyl-


Estimated data

Solubility: -4.214 (log(S) in mol/L prediction using SolTranNet)

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

Addictivity Prediction: 71.5% (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.