1.0 2010-04-08 22:08:34 UTC 2025-11-18 23:16:16 UTC FDB009416 Fd&c blue no. 2, calcium lake It is used as a food additive . C14H13N5O5S2 395.414 395.035809931 (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(N-hydroxyimino)acetamido]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid omnicef 91832-40-5 [H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/O)\C1=CSC(N)=N1)C(O)=O InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1 RTXOFQZKPXMALH-GHXIOONMSA-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 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Amino acids Azacyclic compounds Azetidines Carbonyl compounds Carboxylic acids Dialkylthioethers Heteroaromatic compounds Hydrocarbon derivatives Ketoximes Monocarboxylic acids and derivatives N-acyl-alpha amino acids and derivatives Organic oxides Organopnictogen compounds Primary amines Secondary carboxylic acid amides Tertiary carboxylic acid amides Thiohemiaminal derivatives 1,3-thiazol-2-amine 2,4-disubstituted 1,3-thiazole Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aromatic heteropolycyclic compound Azacycle Azetidine Azole Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Cephalosporin Dialkylthioether Hemithioaminal Heteroaromatic compound Hydrocarbon derivative Ketoxime Meta-thiazine Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary amine Secondary carboxylic acid amide Tertiary carboxylic acid amide Thiazole Thioether cephalosporin ketoxime logp 0.02 ALOGPS logs -3.65 ALOGPS solubility 8.78e-02 g/l ALOGPS logp -1.7 ChemAxon pka_strongest_acidic 1.74 ChemAxon pka_strongest_basic 7.45 ChemAxon iupac (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(N-hydroxyimino)acetamido]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ChemAxon average_mass 395.414 ChemAxon mono_mass 395.035809931 ChemAxon smiles [H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/O)\C1=CSC(N)=N1)C(O)=O ChemAxon formula C14H13N5O5S2 ChemAxon inchi InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1 ChemAxon inchikey RTXOFQZKPXMALH-GHXIOONMSA-N ChemAxon polar_surface_area 158.21 ChemAxon refractivity 94.34 ChemAxon polarizability 36.12 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17139 Specdb::CMs 40400 Specdb::CMs 156584 Specdb::NmrOneD 101398 Specdb::NmrOneD 101399 Specdb::NmrOneD 101400 Specdb::NmrOneD 101401 Specdb::NmrOneD 101402 Specdb::NmrOneD 101403 Specdb::NmrOneD 101404 Specdb::NmrOneD 101405 Specdb::NmrOneD 101406 Specdb::NmrOneD 101407 Specdb::NmrOneD 101408 Specdb::NmrOneD 101409 Specdb::NmrOneD 101410 Specdb::NmrOneD 101411 Specdb::NmrOneD 101412 Specdb::NmrOneD 101413 Specdb::NmrOneD 101414 Specdb::NmrOneD 101415 Specdb::NmrOneD 101416 Specdb::NmrOneD 101417 Specdb::MsMs 52215 Specdb::MsMs 52216 Specdb::MsMs 52217 Specdb::MsMs 125439 Specdb::MsMs 125440 Specdb::MsMs 125441 Specdb::MsMs 374241 Specdb::MsMs 450684 Specdb::MsMs 2248691 Specdb::MsMs 2249707 Specdb::MsMs 2351041 Specdb::MsMs 2351042 Specdb::MsMs 2351043 Specdb::MsMs 2583920 Specdb::MsMs 2583921 Specdb::MsMs 2583922 HMDB0014675