Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04808"

Predicate	Value (sorted: none)
rdfs:label	"Neamine"
drugbank:description	" 3947-65-7 experimental Eiichi Akita, Tsutomu Tsuchiya, Shinichi Kondo, Shuntaro Yasuda, Sumio Umezawa, Hamao Umezawa, "1-N-((S)-.alpha.-substituted-.omega.-aminoacyl)-neamine or -ribostamycin and the production thereof." U.S. Patent US4008218, issued February, 1974. This compound belongs to the aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidially linked to a carbohydrate moiety. Aminocyclitol Glycosides Organic Compounds Organooxygen Compounds Carbohydrates and Carbohydrate Conjugates Amino Sugars O-glycosyl Compounds Hexoses Aminocyclitols and Derivatives Cyclohexanols Oxanes 1,2-Aminoalcohols 1,2-Diols Polyamines Acetals Monoalkylamines o-glycosyl compound glycosyl compound hexose monosaccharide aminocyclitol derivative cyclitol derivative cyclohexanol monosaccharide oxane cyclic alcohol 1,2-diol 1,2-aminoalcohol secondary alcohol polyamine acetal ether alcohol amine organonitrogen compound primary aliphatic amine primary amine Dekamycin V Nebramycin X Negamicin Neomycin A Anti-Bacterial Agents logP -2.9 ALOGPS logS -0.5 ALOGPS Water Solubility 1.01e+02 g/l ALOGPS logP -5.3 ChemAxon IUPAC Name (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}oxane-3,4-diol ChemAxon Traditional IUPAC Name neamine ChemAxon Molecular Weight 322.358 ChemAxon Monoisotopic Weight 322.185234584 ChemAxon SMILES NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O ChemAxon Molecular Formula C12H26N4O6 ChemAxon InChI InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1 ChemAxon InChIKey InChIKey=SYJXFKPQNSDJLI-HKEUSBCWSA-N ChemAxon Polar Surface Area (PSA) 203.46 ChemAxon Refractivity 73.72 ChemAxon Polarizability 32.19 ChemAxon Rotatable Bond Count 3 ChemAxon H Bond Acceptor Count 10 ChemAxon H Bond Donor Count 8 ChemAxon pKa (strongest acidic) 12.66 ChemAxon pKa (strongest basic) 9.67 ChemAxon Physiological Charge 4 ChemAxon Number of Rings 2 ChemAxon Bioavailability 0 ChemAxon PubChem Compound 72392 PubChem Substance 46507306 KEGG Compound C01441 BindingDB 8580 PDB XXX "
drugbank:drugCategory	drugcategory:Anti-Bacterial Agents
rdf:type	drugbank:drugs

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