chempirical

Risedronate

C7H11NO7P2CAS 105462-24-6283.11 g/mol

Open in Covalent MOL file
OPOHHOHONPOHOHO
AlcoholPhosphonate

Properties

Molecular formula
C7H11NO7P2
Molar mass
283.11 g/mol
Exact mass
283.0011 Da
logP
-0.37Crippen estimate
Polar surface area
148.2 Ų
H-bond donors / acceptors
5 / 4
Rotatable bonds
4

Identifiers

CAS number
105462-24-6
SMILES
O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O
InChIKey
IIDJRNMFWXDHID-UHFFFAOYSA-N
InChI
InChI=1S/C7H11NO7P2/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

12 names
  • Phosphonic acid, P,P′-[1-hydroxy-2-(3-pyridinyl)ethylidene]bis-
  • Phosphonic acid, [1-hydroxy-2-(3-pyridinyl)ethylidene]bis-
  • P,P′-[1-Hydroxy-2-(3-pyridinyl)ethylidene]bis[phosphonic acid]
  • Risedronic acid
  • NE 58019
  • 1-Hydroxy-2-(3-pyridinyl)ethylidene bisphosphonic acid
  • 1-Hydroxy-2-pyrid-3-ylethylidene-1,1-bisphosphonic acid
  • 1-Hydroxy-2-(3-pyridyl)ethylidene-1,1-diphosphonic acid
  • BPH 2
  • Benet
  • [1-Hydroxy-1-phosphono-2-(pyridin-3-yl)ethyl]phosphonic acid
  • 1-Hydroxy-2-(3-pyridinyl)ethane-1,1-diphosphonic acid

Work with Risedronate

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

Risedronate sodium115436-72-172 % similar Minodronic acid180064-38-447 % similar 3-Pyridinemethanol100-55-043 % similar 3-Pyridineethanol6293-56-741 % similar Zoledronic acid118072-93-841 % similar 3-Pyridylacetic acid hydrochloride6419-36-941 % similar 3-Pyridineacetic acid501-81-540 % similar 3-(Chloromethyl)pyridine hydrochloride6959-48-440 % similar

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

Elsewhere

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