1.02011-09-21 00:18:46 UTC2015-10-09 22:31:19 UTCFDB022734Alendronic acidAlendronate (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 acidAcide alendroniqueAcido alendronicoAcidum alendronicumAlendronateAlendronate SodiumAlendronate sodium hydrateAlendronic acidFosamaxC4H13NO7P2249.096249.016724799(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acidalendronate66376-36-1NCCCC(O)(P(O)(O)=O)P(O)(O)=OInChI=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.BisphosphonatesOrganic compoundsOrganic acids and derivativesOrganic phosphonic acids and derivativesBisphosphonatesAliphatic acyclic compoundsHydrocarbon derivativesMonoalkylaminesOrganic oxidesOrganic phosphonic acidsOrganooxygen compoundsOrganophosphorus compoundsOrganopnictogen compoundsAliphatic acyclic compoundAmineBisphosphonateHydrocarbon derivativeOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganophosphonic acidOrganophosphorus compoundOrganopnictogen compoundPrimary aliphatic aminePrimary amine1,1-bis(phosphonic acid)primary amino compoundSolidlogp-1.34logs-1.17solubility1.69e+01 g/llogp-4.2pka_strongest_acidic0.69pka_strongest_basic9.91iupac(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acidaverage_mass249.096mono_mass249.016724799smilesNCCCC(O)(P(O)(O)=O)P(O)(O)=OformulaC4H13NO7P2inchiInChI=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)inchikeyOGSPWJRAVKPPFI-UHFFFAOYSA-Npolar_surface_area161.31refractivity47.37polarizability19.4rotatable_bond_count5acceptor_count8donor_count6physiological_charge-1formal_charge0Specdb::NmrOneD148600Specdb::NmrOneD148601Specdb::NmrOneD148602Specdb::NmrOneD148603Specdb::NmrOneD148604Specdb::NmrOneD148605Specdb::NmrOneD148606Specdb::NmrOneD148607Specdb::NmrOneD148608Specdb::NmrOneD148609Specdb::NmrOneD148610Specdb::NmrOneD148611Specdb::NmrOneD148612Specdb::NmrOneD148613Specdb::NmrOneD148614Specdb::NmrOneD148615Specdb::NmrOneD148616Specdb::NmrOneD148617Specdb::NmrOneD148618Specdb::NmrOneD148619Specdb::CMs7115Specdb::CMs38183Specdb::CMs130592Specdb::CMs138326Specdb::MsMs1828Specdb::MsMs1829Specdb::MsMs1830Specdb::MsMs251787Specdb::MsMs251788Specdb::MsMs251789Specdb::MsMs271728Specdb::MsMs271729Specdb::MsMs271730Specdb::MsMs2319896Specdb::MsMs2319897Specdb::MsMs2319898Specdb::MsMs2618351Specdb::MsMs2618352Specdb::MsMs2618353HMDB01915#<Reference:0x000055567584a410>#<Reference:0x000055567584a258>#<Reference:0x000055567584a0a0>#<Reference:0x0000555675849ee8>#<Reference:0x0000555675849d30>#<Reference:0x0000555675849b78>#<Reference:0x0000555675849948>#<Reference:0x0000555675849718>#<Reference:0x0000555675849538>#<Reference:0x0000555675849358>#<Reference:0x0000555675849150>AnatidaeType 1specificAnatidae8830BeefaloType 1specificBos taurus X Bison bison297284BisonType 1specificBison bison9901BuffaloType 1specificBubalus bubalis89462Cattle (Beef, Veal)Type 1specificBos taurus9913ChickenType 1specificGallus gallus9031Columbidae (Dove, Pigeon)Type 1specificColumbidae8930DeerType 1specificCervidae9850Domestic goatType 1specificCapra aegagrus hircus9925Domestic pigType 1specificSus scrofa domestica9825ElkType 1specificCervus canadensis1574408EmuType 1specificDromaius novaehollandiae8790European rabbitType 1specificOryctolagus9984Greylag gooseType 1specificAnser anser8843Guinea henType 1specificNumida meleagris8996HorseType 1specificEquus caballus9796Mallard duckType 1specificAnas platyrhynchos8839Mountain hareType 1specificLepus timidus62621Mule deerType 1specificOdocoileus9871OstrichType 1specificStruthio camelus8801PheasantType 1specificPhasianus colchicus9054QuailType 1specificPhasianidae9005RabbitType 1specificLeporidae9979Rock ptarmiganType 1specificLagopus muta64668Sheep (Mutton, Lamb)Type 1specificOvis aries9940SquabType 1specificColumba8931TurkeyType 1specificMeleagris gallopavo9103Velvet duckType 1specificMelanitta fusca371864Wild boarType 1specificSus scrofa9823