1.0 2010-04-08 22:05:50 UTC 2025-11-18 22:52:56 UTC FDB003507 Alexomycin Veterinary growth promoter used for poultry and swine. PNU 82127 U 82127 C22H24Cl2N2O8 515.34 514.0909711 (4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid hydrochloride bio-mycin hydrochloride 165101-50-8 Cl.[H][C@]12C[C@@]3([H])[C@]([H])(N(C)C)C(O)=C(C(O)=N)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C(O)C=CC(Cl)=C1[C@@]2(C)O InChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31);1H/t7-,8-,15-,21-,22-;/m0./s1 CBHYYLPALVVVEY-MRFRVZCGSA-N belongs to the class of organic compounds known as tetracyclines. These are polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups. Tetracyclines Organic compounds Phenylpropanoids and polyketides Tetracyclines Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Amino acids and derivatives Anthracenecarboxylic acids and derivatives Aralkylamines Aryl chlorides Aryl ketones Cyclohexenones Enols Hydrocarbon derivatives Hydrochlorides Naphthacenes Organic oxides Organochlorides Organopnictogen compounds Polyols Primary carboxylic acid amides Tertiary alcohols Tetralins Trialkylamines Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid Alcohol Amine Amino acid or derivatives Anthracene carboxylic acid or derivatives Aralkylamine Aromatic homopolycyclic compound Aryl chloride Aryl halide Aryl ketone Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Cyclohexenone Enol Hydrocarbon derivative Hydrochloride Ketone Naphthacene Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Polyol Primary carboxylic acid amide Tertiary alcohol Tertiary aliphatic amine Tertiary amine Tetracene Tetracycline Tetralin Vinylogous acid logp 0.11 ALOGPS logs -3.22 ALOGPS solubility 2.88e-01 g/l ALOGPS logp -4.7 ChemAxon pka_strongest_acidic -2.9 ChemAxon pka_strongest_basic 13.57 ChemAxon iupac (4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid hydrochloride ChemAxon average_mass 515.34 ChemAxon mono_mass 514.0909711 ChemAxon smiles Cl.[H][C@]12C[C@@]3([H])[C@]([H])(N(C)C)C(O)=C(C(O)=N)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C(O)C=CC(Cl)=C1[C@@]2(C)O ChemAxon formula C22H24Cl2N2O8 ChemAxon inchi InChI=1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31);1H/t7-,8-,15-,21-,22-;/m0./s1 ChemAxon inchikey CBHYYLPALVVVEY-MRFRVZCGSA-N ChemAxon polar_surface_area 182.61 ChemAxon refractivity 129.93 ChemAxon polarizability 45.69 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 94272 Specdb::MsMs 94273 Specdb::MsMs 94274 Specdb::MsMs 158292 Specdb::MsMs 158293 Specdb::MsMs 158294