1.0 2016-09-30 23:14:37 UTC 2020-05-11 20:24:30 UTC BMDB0005012 BMDB05012 Olanzapine Olanzapina Olanzapinum Zyprexa Lanzac Zyprexa intramuscular Zyprexa zydis Zolafren 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno(2,3-b)(1,5)benzodiazepine Olanzapine pamoate C17H20N4S 312.432 312.14086735 5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),3(7),5,8,10,12-hexaene zyprexa 132539-06-1 CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2 InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 KVWDHTXUZHCGIO-UHFFFAOYSA-N belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms). Organic compounds Organoheterocyclic compounds Benzodiazepines Benzodiazepines 1,4-diazepines 2,3,5-trisubstituted thiophenes Azacyclic compounds Benzenoids Carboxamidines Heteroaromatic compounds Hydrocarbon derivatives Imidolactams N-arylated-2-aminothiophenes N-methylpiperazines Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Thienodiazepines Trialkylamines 1,4-diazinane 2,3,5-trisubstituted thiophene 2-aminothiophene Amidine Amine Aromatic heteropolycyclic compound Azacycle Benzenoid Benzodiazepine Carboxylic acid amidine Heteroaromatic compound Hydrocarbon derivative Imidolactam N-alkylpiperazine N-arylated-2-aminothiophene N-methylpiperazine Organic 1,3-dipolar compound Organic nitrogen compound Organonitrogen compound Organopnictogen compound Para-diazepine Piperazine Propargyl-type 1,3-dipolar organic compound Secondary amine Tertiary aliphatic amine Tertiary amine Thieno-para-diazepine Thiophene Aromatic heteropolycyclic compounds N-arylpiperazine N-methylpiperazine benzodiazepine Solid logp 3.61 ALOGPS logs -3.52 ALOGPS logp 3.39 ChemAxon pka_strongest_acidic 14.17 ChemAxon pka_strongest_basic 7.24 ChemAxon iupac 5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),3(7),5,8,10,12-hexaene ChemAxon average_mass 312.432 ChemAxon mono_mass 312.14086735 ChemAxon smiles CN1CCN(CC1)C1=NC2=CC=CC=C2NC2=C1C=C(C)S2 ChemAxon formula C17H20N4S ChemAxon inchi InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 ChemAxon inchikey KVWDHTXUZHCGIO-UHFFFAOYSA-N ChemAxon polar_surface_area 30.87 ChemAxon refractivity 93.87 ChemAxon polarizability 35.37 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 16150 Specdb::CMs 132250 Specdb::CMs 139984 Specdb::MsMs 49164 Specdb::MsMs 49165 Specdb::MsMs 49166 Specdb::MsMs 114738 Specdb::MsMs 114739 Specdb::MsMs 114740 Specdb::MsMs 374330 Specdb::MsMs 374383 Specdb::MsMs 374943 Specdb::MsMs 441068 Specdb::MsMs 441069 Specdb::MsMs 441070 Specdb::MsMs 441071 Specdb::MsMs 441072 Specdb::MsMs 450853 Specdb::MsMs 450854 Specdb::MsMs 450969 Specdb::MsMs 450970 Specdb::MsMs 451707 Specdb::MsMs 2227090 Specdb::MsMs 2227493 Specdb::MsMs 2236362 Specdb::MsMs 2237043 Specdb::MsMs 2238421 Specdb::MsMs 2239138 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 DB00334 FDB023585 135398745 10442212 C07322 7735 Olanzapine Patel, Hiren V.; Ray, Anup K.; Patel, Pramod B.; Patel, Mahendra R. Process of preparation of olanzapine form I. PCT Int. Appl. (2003), 16 pp.