1.0 2016-09-30 23:14:48 UTC 2020-05-11 20:24:33 UTC BMDB0005030 BMDB05030 Fexofenadine 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acid Carboxyterfenadine Terfenadine acid metabolite Terfenadine carboxylate Terfenadine-COOH Telfast 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-a,a-dimethylbenzeneacetate 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-a,a-dimethylbenzeneacetic acid 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetate 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-α,α-dimethylbenzeneacetate 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-α,α-dimethylbenzeneacetic acid Terfenadine carboxylic acid Allegra Fexofenadine hydrochloride Aventis pharma brand OF fexofenadine hydrochloride MDL 16,455a alpha-(4-(1-Carboxy-1-methylethyl)phenyl)-4-hydroxydiphenylmethyl-1-piperidinebutanol Aventis behring brand OF fexofenadine hydrochloride Aventis brand OF fexofenadine hydrochloride Hoechst brand OF fexofenadine hydrochloride C32H39NO4 501.6564 501.287908741 2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid fexofenadine 83799-24-0 CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36) RWTNPBWLLIMQHL-UHFFFAOYSA-N belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. Organic compounds Benzenoids Benzene and substituted derivatives Diphenylmethanes Diphenylmethanes Amino acids Aralkylamines Aromatic alcohols Azacyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Phenylbutylamines Phenylpropanes Piperidines Secondary alcohols Tertiary alcohols Trialkylamines Alcohol Amine Amino acid Amino acid or derivatives Aralkylamine Aromatic alcohol Aromatic heteromonocyclic compound Azacycle Carbonyl group Carboxylic acid Carboxylic acid derivative Diphenylmethane Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylbutylamine Phenylpropane Piperidine Secondary alcohol Tertiary alcohol Tertiary aliphatic amine Tertiary amine Aromatic heteromonocyclic compounds piperidines tertiary amine Solid melting_point 142.5 °C logp 5.02 ALOGPS logs -5.28 ALOGPS logp 2.94 ChemAxon pka_strongest_acidic 4.04 ChemAxon pka_strongest_basic 9.01 ChemAxon iupac 2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid ChemAxon average_mass 501.6564 ChemAxon mono_mass 501.287908741 ChemAxon smiles CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1 ChemAxon formula C32H39NO4 ChemAxon inchi InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36) ChemAxon inchikey RWTNPBWLLIMQHL-UHFFFAOYSA-N ChemAxon polar_surface_area 81 ChemAxon refractivity 147.98 ChemAxon polarizability 57.42 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 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 17512 Specdb::CMs 38839 Specdb::CMs 806874 Specdb::CMs 806875 Specdb::CMs 806876 Specdb::CMs 806877 Specdb::CMs 806878 Specdb::CMs 806879 Specdb::CMs 806880 Specdb::CMs 806881 Specdb::CMs 806882 Specdb::CMs 806883 Specdb::CMs 806884 Specdb::CMs 806885 Specdb::CMs 806886 Specdb::MsMs 99789 Specdb::MsMs 99790 Specdb::MsMs 99791 Specdb::MsMs 164976 Specdb::MsMs 164977 Specdb::MsMs 164978 Specdb::MsMs 436269 Specdb::MsMs 436270 Specdb::MsMs 436271 Specdb::MsMs 436272 Specdb::MsMs 436273 Specdb::MsMs 436274 Specdb::MsMs 443489 Specdb::MsMs 443490 Specdb::MsMs 443491 Specdb::MsMs 443492 Specdb::MsMs 443493 Specdb::MsMs 443494 Specdb::MsMs 2244724 Specdb::MsMs 2245374 Specdb::MsMs 2246868 Specdb::MsMs 2247439 Specdb::MsMs 2250834 Specdb::MsMs 2251588 Specdb::MsMs 2385929 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 Epidermis 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 Kidney 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 3231 C06999 5050 Fexofenadine Carr, Albert A.; Dolfini, Joseph E.; Wright, George J. Piperidine derivatives with antihistamine action. Ger. Offen. (1980), 39 pp. CODEN: GWXXBX DE 3007498 19801023 CAN 94:156758 AN 1981:156758