1.0 2011-09-21 00:18:46 UTC 2015-10-09 22:31:19 UTC FDB022734 Alendronic acid Alendronate (Fosamax, Merck) is a bisphosphonate drug used for osteoporosis and several other bone diseases. It is marketed alone as well as in combination with vitamin D (2,800 U, under the name Fosavance). [HMDB] (4-amino-1-Hydroxybutylidene)bisonate (4-amino-1-Hydroxybutylidene)bisonic acid Acide alendronique Acido alendronico Acidum alendronicum Alendronate Alendronate Sodium Alendronate sodium hydrate Alendronic acid Fosamax C4H13NO7P2 249.096 249.016724799 (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid alendronate 66376-36-1 NCCCC(O)(P(O)(O)=O)P(O)(O)=O InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12) OGSPWJRAVKPPFI-UHFFFAOYSA-N belongs to the class of organic compounds known as bisphosphonates. These are organic compounds containing two phosphonate groups linked together through a carbon atoms. Bisphosphonates Organic compounds Organic acids and derivatives Organic phosphonic acids and derivatives Bisphosphonates Aliphatic acyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organic phosphonic acids Organooxygen compounds Organophosphorus compounds Organopnictogen compounds Aliphatic acyclic compound Amine Bisphosphonate Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organophosphonic acid Organophosphorus compound Organopnictogen compound Primary aliphatic amine Primary amine 1,1-bis(phosphonic acid) primary amino compound Solid logp -1.34 ALOGPS logs -1.17 ALOGPS solubility 1.69e+01 g/l ALOGPS logp -4.2 ChemAxon pka_strongest_acidic 0.69 ChemAxon pka_strongest_basic 9.91 ChemAxon iupac (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid ChemAxon average_mass 249.096 ChemAxon mono_mass 249.016724799 ChemAxon smiles NCCCC(O)(P(O)(O)=O)P(O)(O)=O ChemAxon formula C4H13NO7P2 ChemAxon inchi InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12) ChemAxon inchikey OGSPWJRAVKPPFI-UHFFFAOYSA-N ChemAxon polar_surface_area 161.31 ChemAxon refractivity 47.37 ChemAxon polarizability 19.4 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 7115 Specdb::CMs 38183 Specdb::CMs 130592 Specdb::CMs 138326 Specdb::NmrOneD 148600 Specdb::NmrOneD 148601 Specdb::NmrOneD 148602 Specdb::NmrOneD 148603 Specdb::NmrOneD 148604 Specdb::NmrOneD 148605 Specdb::NmrOneD 148606 Specdb::NmrOneD 148607 Specdb::NmrOneD 148608 Specdb::NmrOneD 148609 Specdb::NmrOneD 148610 Specdb::NmrOneD 148611 Specdb::NmrOneD 148612 Specdb::NmrOneD 148613 Specdb::NmrOneD 148614 Specdb::NmrOneD 148615 Specdb::NmrOneD 148616 Specdb::NmrOneD 148617 Specdb::NmrOneD 148618 Specdb::NmrOneD 148619 Specdb::MsMs 1828 Specdb::MsMs 1829 Specdb::MsMs 1830 Specdb::MsMs 251787 Specdb::MsMs 251788 Specdb::MsMs 251789 Specdb::MsMs 271728 Specdb::MsMs 271729 Specdb::MsMs 271730 Specdb::MsMs 2319896 Specdb::MsMs 2319897 Specdb::MsMs 2319898 Specdb::MsMs 2618351 Specdb::MsMs 2618352 Specdb::MsMs 2618353 HMDB01915 #<Reference:0x000055ce317aaeb8> #<Reference:0x000055ce317aacd8> #<Reference:0x000055ce317aab20> #<Reference:0x000055ce317aa968> #<Reference:0x000055ce317aa7b0> #<Reference:0x000055ce317aa5a8> #<Reference:0x000055ce317aa3f0> #<Reference:0x000055ce317aa238> #<Reference:0x000055ce317a9fe0> #<Reference:0x000055ce317a9e28> #<Reference:0x000055ce317a9c48> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823