chempirical

Alendronate sodium

C4H12NNaO7P2CAS 129318-43-0271.08 g/mol

Open in Covalent MOL file
H2NOHPO−OOHPOHOOHNa+
AlcoholPhosphonatePrimary amine

Properties

Molecular formula
C4H12NNaO7P2
Molar mass
271.08 g/mol
Exact mass
270.9987 Da
Melting point
119 °C
logP
-1.65Crippen estimate
Polar surface area
161.3 Ų
H-bond donors / acceptors
6 / 4
Rotatable bonds
5

Identifiers

CAS number
129318-43-0
SMILES
NCCCC(O)(P([O-])(=O)O)P(=O)(O)O.[Na+]
InChIKey
NLILQNGSPQHASV-UHFFFAOYSA-N
InChI
InChI=1S/C4H13NO7P2.Na/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);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

22 names · show all
  • Phosphonic acid, P,P′-(4-amino-1-hydroxybutylidene)bis-, sodium salt (1:1)
  • Phosphonic acid, (4-amino-1-hydroxybutylidene)bis-, monosodium salt
  • MK 217
  • Monosodium alendronate
  • Fosamax
  • Indrol
  • Alend
  • NeoBon
  • Mavil
  • Eucalen
  • Osteovan
  • Fosalan
  • Bifosa
  • 4-Amino-1-hydroxybutylidene-1,1-bisphosphonic acid monosodium salt
  • Alendronic acid monosodium salt
  • 4-Amino-1-hydroxy-1,1-butanediphosphonic acid monosodium salt
  • Bonalon
  • Onclast
  • Fosamac
  • Alenmax
  • Sodium alendronate
  • Monosodium (4-amino-1-hydroxybutane-1,1-diyl)bisphosphonate

Work with Alendronate sodium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Alendronate monosodium trihydrate121268-17-592 % similar Alendronic acid66376-36-166 % similar Pamidronate disodium57248-88-159 % similar Disodium pamidronate pentahydrate109552-15-055 % similar Ibandronate sodium138844-81-254 % similar P,P′-(3-Amino-1-hydroxypropylidene)bis[phosphonic acid]40391-99-951 % similar Risedronate sodium115436-72-146 % similar Etidronate disodium7414-83-734 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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