1.0 2010-04-08 22:12:43 UTC 2025-11-19 01:50:47 UTC FDB016901 Floridin It is used in food processing as a filtration agent and flocculating agent Floridin Fuller's earth C19H17N3O4S2 415.486 415.066047427 1-{[(6R,7R)-2-carboxylato-7-{[1-hydroxy-2-(thiophen-2-yl)ethylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridin-1-ium deflorin 50-59-9 [H][C@]12SCC(C[N+]3=CC=CC=C3)=C(N1C(=O)[C@@]2([H])N=C(O)CC1=CC=CS1)C([O-])=O InChI=1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/m1/s1 CZTQZXZIADLWOZ-CRAIPNDOSA-N belongs to the class of organic compounds known as cephalosporins. Cephalosporins are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof. Cephalosporins Organic compounds Organoheterocyclic compounds Lactams Beta lactams Aromatic heteropolycyclic compounds 1,3-thiazines Azacyclic compounds Azetidines Carbonyl compounds Carboxylic acid salts Carboxylic acids Dialkylthioethers Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl-alpha amino acids and derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds Pyridinium derivatives Secondary carboxylic acid amides Tertiary carboxylic acid amides Thiohemiaminal derivatives Thiophenes Alpha-amino acid or derivatives Aromatic heteropolycyclic compound Azacycle Azetidine Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Carboxylic acid salt Cephalosporin Dialkylthioether Hemithioaminal Heteroaromatic compound Hydrocarbon derivative Meta-thiazine Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine Pyridinium Secondary carboxylic acid amide Tertiary carboxylic acid amide Thioether Thiophene cephalosporin logp -0.78 ALOGPS logs -4.81 ALOGPS solubility 7.19e-03 g/l ALOGPS logp -2.3 ChemAxon pka_strongest_acidic 3.27 ChemAxon pka_strongest_basic -0.017 ChemAxon iupac 1-{[(6R,7R)-2-carboxylato-7-{[1-hydroxy-2-(thiophen-2-yl)ethylidene]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridin-1-ium ChemAxon average_mass 415.486 ChemAxon mono_mass 415.066047427 ChemAxon smiles [H][C@]12SCC(C[N+]3=CC=CC=C3)=C(N1C(=O)[C@@]2([H])N=C(O)CC1=CC=CS1)C([O-])=O ChemAxon formula C19H17N3O4S2 ChemAxon inchi InChI=1S/C19H17N3O4S2/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21/h1-8,15,18H,9-11H2,(H-,20,23,25,26)/t15-,18-/m1/s1 ChemAxon inchikey CZTQZXZIADLWOZ-CRAIPNDOSA-N ChemAxon polar_surface_area 96.91 ChemAxon refractivity 117.8 ChemAxon polarizability 41.49 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 52674 Specdb::MsMs 52675 Specdb::MsMs 52676 Specdb::MsMs 138882 Specdb::MsMs 138883 Specdb::MsMs 138884