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

citalopram

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escitalopram

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isomerdesign

Citalopram

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pubchem

Citalopram

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Escitalopram

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Citalopram

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Citalopram

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Citalopram

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Citalopram

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Escitalopram

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Data

InChI: InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3

Synonyms: MLS006011858,HMS2090O09, Zentius,AB00513896_12,5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-,D07704, Zentius (TN),MRF-0000226,5-Cyano-1-(4-fluorophenyl)-1-(3-dimethylaminopropyl)-1,3-dihydro-isobenzofuran,SDCCGSBI-0050246.P003,BCP12154,Cipralex, Citopam (TN), Citopam,Q409672,1-(3-dimethylaminopropyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile,HMS2089O08,(+)-Citalopram,ESCITALOPRAM [WHO-DD],SMR000465669,SBI-0050246.P002,BSPBio_002644, Lexapro (TN),Lopac0_000258, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile,(+)-(S)-1-(3-(Dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile,EN300-304884,BSPBio_000843, Citabax,BRD-A47598013-004-02-0,1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile, Celius (TN),CITALOPRAM [USP IMPURITY],BIDD:PXR0135,Spectrum5_001693,NCGC00015267-03,NCGC00025160-01,59729-33-8,CITALOPRAM [INN], [3H]Citalopram, AE-641/00603021,NCGC00015267-06,MLS000028578,citalopram,GTPL4621, Celapram,S-(+)-1-(3-(DIMETHYLAMINO)PROPYL)-1-(P-FLUOROPHENYL)-5-PHTHALANCARBONITRILE,[3H]Cytalopram,Esitol,Esertia (TN), Citalopramum [INN-Latin],celexa, Akarin (TN),AB00698374-09, Cipram (TN), Citabax (TN),AB00698374-07,1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile,(S)-(+)-1-[3-(dimethylamino) propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofuran carbonitrile,Citalopramum [INN-Latin],SPBio_000621, 1,3-dihydro[3,4]benzofuran-5-carbonitrile,cipramil, Citalec,SR-01000003129-8,WSEQXVZVJXJVFP-UHFFFAOYSA-,Citalopram (USP/INN),S(+)-Citalopram,CHEBI:77397,CS-0081223,NCGC00015267-04,1-(3-(Dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile,1-(3'-dimethylaminopropyl)-1-(4'-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile,BDBM25870, Celapram (TN), Talam,1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carb onitrile,Escitalopram Impurity A, Lu-10-171, Citol (TN),DB01175,STL058639,Q423757,(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile,4O4S742ANY,1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile,FT-0657967, Citalopram [Celexa],Spectrum_001401,KBio2_001881,DTXSID8022826,AC-4508,Citalopram derivative 1,KBio3_001864, Zetalo,HMS3259B10,NCGC00178555-07, 1,3-Dihydro-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-5-isobenzofurancarbonitrile,AB00513896_13,Citalopram,(s)-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile,NCGC00015267-01,Lu-10-171,(S)-Citalopram;S-(+)-Citalopram,Lopac-C-7861,PMID29334795-Compound-59,2-METHOXYETHYLP-TOLUENESULFONATE,S-(+)-Citalopram, Seropram,Citalopram-[d4],1-(3-(dimethylamino)propyl)-1-(4'-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile,Citalopram-d4 oxalate, Citrol (TN),LU-10171B,UNII-4O4S742ANY, Celius,NCGC00015267-20, (S)-Citalopram,AC-8894,Norcitalopram ME,SCHEMBL34948, Dalsan (TN), Celexa,Esertia,(S)-(+)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofuran carbonitrile, Esertia (TN), Ciazil (TN),Spectrum2_000551, Citaxin (TN),Seroplex,BRD-K70301876-034-02-0,NCGC00015267-11,5-Isobenzofurancarbonitrile,1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, Seropram (TN),Cipram,CHEMBL549,Citadur,GTPL7177,Citalopramum,HY-14258,CITALOPRAM [VANDF], Ciazil,1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzo[b]furancarbonitrile, Cilift (TN),lexapro,GTPL7547,Spectrum4_001212,AB00513896,Spectrum3_001062,0DHU5B8D6V,ESCITALOPRAM [MI],BDBM50302225, Ciprapine (TN),[3H]Lexapro,Escitalopram (INN),NCGC00025160-02,BPBio1_000929, Cytalopram,ACT02666, Dalsan,1,3-Dihydro-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-5-isobenzofurancarbonitrile,[3H]-Citalopram,NCGC00015267-05,C07572,KBioSS_001881,CCG-204353,NCGC00015267-02,ESCITALOPRAM [VANDF],NCGC00015267-09,HY-121203,Escitalopram [INN],1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile, Citalopram [INN:BAN], Recital (TN),1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile, Humorup,128196-01-0,BBL029066, Celexa (TN), Citadur,AS-76503,Citalopram [USP:INN:BAN],729C338, Lu 10-171,(1r)-1-(3-dimethylaminopropyl)-1-(4-fluorophenyl)-3h-isobenzofuran-5-carbonitrile,Citalopram-[d6],UNII-0DHU5B8D6V, Oropram,Prestwick3_000692,NCGC00015267-12, (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile,DB00215,(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile,MRF-0000302,DTXSID8048440,cipralex,EN300-18530974, Talam (TN),BRD-A47598013-004-06-1,1-[3-(dimethylamino) propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofuran carbonitrile, Cipramil (TN),AB00698374_10,[3H]Escitalopram, Cipralex (TN), Citadur (TN), Talohexal,AB00513896-11, 1-(3-(Dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile,1-(3-Dimethylaminopropyl)-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile,Celexa,NCGC00015267-07,ESCITALOPRAM [EP MONOGRAPH],S-(+)-5-ISOBENZOFURANCARBONITRILE, 1-(3-(DIMETHYLAMINO)PROPYL)-1-(4-FLUOROPHENYL)-1,3-DIHYDRO-,B1183, (+)-(S)-1-(3-(Dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile,1-[3-(dimethylamino)propyl]-1-(p-fluorophenyl)-5-phthalancarbonitrile,CS-2053,KBio2_007017,1-(3-(Dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile, Pramcit,Escitalopram, Escitalopram [INN],AB00513896-09,Akarin,D07913,(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile,CHEMBL1508, Citalopram (USP/INN),(S)-Citalopram,Nitalapram,1-(3-Dimethylamino-propyl)-1-(4-fluoro-phenyl)-1,3-dihydro-isobenzofuran-5-carbonitrile, Zetalo (TN),[3H]Citalopram, Citalec (TN),EINECS 261-891-1, Cilift,68P,Perrigo citalopram, Escitalopram (INN),SB17453, Recital,escitalopramum,L001223,Citadur (TN),CHEBI:36791,A805793, Cipram,KBioGR_001644,HSDB 8410,5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, (1S)-,CITALOPRAM [MART.],1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro[3,4]benzofuran-5-carbonitrile,HSDB 7042,AKOS005711003, Temperax,5-Isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-, (1S)-,AKOS017343470,FT-0660873,NCGC00178555-01,CITALOPRAM [MI], Citox (TN), Ciprapine,HMS2093A14, Vodelax,5-Isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-, S(+)-Citalopram, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile,AC-1594,ZINC3800706,J-005570,SCHEMBL946,NC00711,Bonitrile,Escitalopram [INN:BAN],CITALOPRAM [WHO-DD],Tocris-1427,5-Isobenzofurancarbonitrile, 1,3-dihydro-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-,KBio2_004449, Nitalapram,(s)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5 carbonitrile,LU-26-054, Citalopramum,A832440


Estimated data

Solubility: -4.241 (log(S) in mol/L prediction using SolTranNet)

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

Addictivity Prediction: 40.0% (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.