1.0 2010-04-08 22:12:21 UTC 2015-07-20 23:28:11 UTC FDB016287 Desacetycefapirin Potential milk contaminant arising from the metabolism of cefapirin in cattle Cefapirin sodium Desacetycefapirin Desacetyl cephapirin Desacetylcephapirin Sodium cefapirin C15H15N3O5S2 381.427 381.045311985 3-(hydroxymethyl)-8-oxo-7-[2-(pyridin-4-ylsulfanyl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 3-(hydroxymethyl)-8-oxo-7-[2-(pyridin-4-ylsulfanyl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 38115-21-8 OCC1=C(N2C(SC1)C(NC(=O)CSC1=CC=NC=C1)C2=O)C(O)=O InChI=1S/C15H15N3O5S2/c19-5-8-6-25-14-11(13(21)18(14)12(8)15(22)23)17-10(20)7-24-9-1-3-16-4-2-9/h1-4,11,14,19H,5-7H2,(H,17,20)(H,22,23) IOFHZPVEQXTSQW-UHFFFAOYSA-N belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2. Branched alkanes Organic compounds Hydrocarbons Saturated hydrocarbons Alkanes Aliphatic acyclic compounds Aliphatic acyclic compound Branched alkane Hydrocarbons logp -1.41 ALOGPS logs -2.80 ALOGPS solubility 6.03e-01 g/l ALOGPS logp -2.4 ChemAxon pka_strongest_acidic 3.55 ChemAxon pka_strongest_basic 5 ChemAxon iupac 3-(hydroxymethyl)-8-oxo-7-[2-(pyridin-4-ylsulfanyl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ChemAxon average_mass 381.427 ChemAxon mono_mass 381.045311985 ChemAxon smiles OCC1=C(N2C(SC1)C(NC(=O)CSC1=CC=NC=C1)C2=O)C(O)=O ChemAxon formula C15H15N3O5S2 ChemAxon inchi InChI=1S/C15H15N3O5S2/c19-5-8-6-25-14-11(13(21)18(14)12(8)15(22)23)17-10(20)7-24-9-1-3-16-4-2-9/h1-4,11,14,19H,5-7H2,(H,17,20)(H,22,23) ChemAxon inchikey IOFHZPVEQXTSQW-UHFFFAOYSA-N ChemAxon polar_surface_area 119.83 ChemAxon refractivity 93.28 ChemAxon polarizability 36 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16558 Specdb::CMs 45295 Specdb::CMs 136083 Specdb::CMs 143817 Specdb::MsMs 69972 Specdb::MsMs 69973 Specdb::MsMs 69974 Specdb::MsMs 128376 Specdb::MsMs 128377 Specdb::MsMs 128378 Specdb::MsMs 2712629 Specdb::MsMs 2712630 Specdb::MsMs 2712631 Specdb::MsMs 2965569 Specdb::MsMs 2965570 Specdb::MsMs 2965571 Specdb::NmrOneD 139850 Specdb::NmrOneD 139851 Specdb::NmrOneD 139852 Specdb::NmrOneD 139853 Specdb::NmrOneD 139854 Specdb::NmrOneD 139855 Specdb::NmrOneD 139856 Specdb::NmrOneD 139857 Specdb::NmrOneD 139858 Specdb::NmrOneD 139859 Specdb::NmrOneD 139860 Specdb::NmrOneD 139861 Specdb::NmrOneD 139862 Specdb::NmrOneD 139863 Specdb::NmrOneD 139864 Specdb::NmrOneD 139865 Specdb::NmrOneD 139866 Specdb::NmrOneD 139867 Specdb::NmrOneD 139868 Specdb::NmrOneD 139869 HMDB37269 #<Reference:0x000055ce3237bb48>