chempirical

Risedronate sodium

C7H10NNaO7P2CAS 115436-72-1305.09 g/mol

Open in Covalent MOL file
O−POHOHONPOHOHONa+
AlcoholPhosphonate

Properties

Molecular formula
C7H10NNaO7P2
Molar mass
305.09 g/mol
Exact mass
304.9830 Da
logP
-0.76Crippen estimate
Polar surface area
148.2 Ų
H-bond donors / acceptors
5 / 4
Rotatable bonds
4

Identifiers

CAS number
115436-72-1
SMILES
[O-]P(=O)(O)C(O)(Cc1cccnc1)P(=O)(O)O.[Na+]
InChIKey
JAROYDNJQWMRAM-UHFFFAOYSA-N
InChI
InChI=1S/C7H11NO7P2.Na/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6;/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15);

Weigh it out

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

Names and synonyms

10 names
  • Phosphonic acid, P,P′-[1-hydroxy-2-(3-pyridinyl)ethylidene]bis-, sodium salt (1:1)
  • Phosphonic acid, [1-hydroxy-2-(3-pyridinyl)ethylidene]bis-, monosodium salt
  • Actonel
  • NE 58095
  • Risedronic acid monosodium salt
  • Sodium risedronate
  • 3-Pyridyl-1-hydroxyethylidene-1,1-biphosphonic acid sodium salt
  • Gemfos
  • Fossical
  • Atelvia

Work with Risedronate 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

Risedronate105462-24-672 % similar Alendronate sodium129318-43-046 % similar Alendronate monosodium trihydrate121268-17-544 % similar Ibandronate sodium138844-81-239 % similar Minodronic acid180064-38-436 % similar Pamidronate disodium57248-88-135 % similar 3-Pyridinemethanol100-55-034 % similar Disodium pamidronate pentahydrate109552-15-033 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook