1.0 2016-09-30 23:14:35 UTC 2020-05-11 20:45:53 UTC BMDB0005010 BMDB05010 Sertraline (+)-Sertraline (1S,4S)-Sertraline (1S-cis)-1,2,3,4-Tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-1-naphthalenamine cis-(+)-Sertraline CP 51974 Sertralina Sertralinum Sertraline hydrochloride Zoloft Besitran Gen sertraline Novo sertraline Parke davis brand OF sertraline hydrochloride Ratiopharm brand OF sertraline hydrochloride Rhoxal sertraline Sertraline hydrochloride (1S-cis)-isomer Altruline Lustral Novo-sertraline Rhoxalpharma brand OF sertraline hydrochloride Roerig brand OF sertraline hydrochloride Sealdin Ratio sertraline Ratio-sertraline Apo sertraline Apo-sertraline Aremis Boehringer ingelheim brand OF sertraline hydrochloride Gladem Pfizer brand OF sertraline hydrochloride Apotex brand OF sertraline hydrochloride Esteve brand OF sertraline hydrochloride Gen-sertraline Genpharm brand OF sertraline hydrochloride Hydrochloride, sertraline Lacer brand OF sertraline hydrochloride Novopharm brand OF sertraline hydrochloride Rhoxal-sertraline C17H17Cl2N 306.23 305.073804963 (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine sertraline 79617-96-2 CN[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12 InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 VGKDLMBJGBXTGI-SJCJKPOMSA-N belongs to the class of organic compounds known as tametralines. Tametralines are compounds containing a tametraline moiety, which consists of a tetrahydronaphthalene linked to a phenyl group to form N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine skeleton. Organic compounds Benzenoids Tetralins Tametralines Tametralines Aralkylamines Aryl chlorides Dialkylamines Dichlorobenzenes Hydrocarbon derivatives Organochlorides Organopnictogen compounds 1,2-dichlorobenzene Amine Aralkylamine Aromatic homopolycyclic compound Aryl chloride Aryl halide Chlorobenzene Halobenzene Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organochloride Organohalogen compound Organonitrogen compound Organopnictogen compound Secondary aliphatic amine Secondary amine Tametraline Aromatic homopolycyclic compounds dichlorobenzene secondary amino compound tetralins Solid logp 5.06 ALOGPS logs -6.32 ALOGPS logp 5.15 ChemAxon pka_strongest_basic 9.85 ChemAxon iupac (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine ChemAxon average_mass 306.23 ChemAxon mono_mass 305.073804963 ChemAxon smiles CN[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12 ChemAxon formula C17H17Cl2N ChemAxon inchi InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 ChemAxon inchikey VGKDLMBJGBXTGI-SJCJKPOMSA-N ChemAxon polar_surface_area 12.03 ChemAxon refractivity 85.74 ChemAxon polarizability 32.44 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 20845 Specdb::CMs 150331 Specdb::EiMs 684 Specdb::MsMs 71244 Specdb::MsMs 71245 Specdb::MsMs 71246 Specdb::MsMs 129879 Specdb::MsMs 129880 Specdb::MsMs 129881 Specdb::MsMs 441039 Specdb::MsMs 441040 Specdb::MsMs 441041 Specdb::MsMs 441042 Specdb::MsMs 450563 Specdb::MsMs 450564 Specdb::MsMs 450985 Specdb::MsMs 451376 Specdb::MsMs 452414 Specdb::MsMs 2230786 Specdb::MsMs 2233339 Specdb::MsMs 2236601 Specdb::MsMs 2236757 Specdb::MsMs 2238703 Specdb::MsMs 2238892 Specdb::MsMs 2240801 Specdb::MsMs 2240880 Specdb::MsMs 2242919 Specdb::MsMs 2242942 Brain Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Liver Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Platelet Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 DB01104 FDB023583 68617 61881 SRE C07246 9123 Sertraline 2417 Corey, E. J.; Gant, Thomas G. A catalytic enantioselective synthetic route to the important antidepressant sertraline. Tetrahedron Letters (1994), 35(30), 5373-6.