Alendronate sodium

C4H12NNaO7P2CAS 129318-43-0271.08 g/mol

Open in Covalent MOL file
H2NHOPO−OHOPOHOOHNa+
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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
129318-43-0
SMILES
NCCCC(O)(P([O-])(=O)O)P(=O)(O)O.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Alendronate monosodium trihydrate121268-17-5Hydrate Alendronic acid66376-36-1Free acid

Similar compounds

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 Ibandronate sodium monohydrate138926-19-951 % similar Risedronate sodium115436-72-146 % similar Etidronate disodium7414-83-734 % similar Clodronate sodium22560-50-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook