chempirical

Minodronic acid

C9H12N2O7P2CAS 180064-38-4322.15 g/mol

Open in Covalent MOL file
OPOHHOHONNPOHOOH
AlcoholPhosphonate

Properties

Molecular formula
C9H12N2O7P2
Molar mass
322.15 g/mol
Exact mass
322.0120 Da
logP
-0.12Crippen estimate
Polar surface area
152.6 Ų
H-bond donors / acceptors
5 / 4
Rotatable bonds
4

Identifiers

CAS number
180064-38-4
SMILES
O=P(O)(O)C(O)(Cc1cnc2ccccn12)P(=O)(O)O
InChIKey
VMMKGHQPQIEGSQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)

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Names and synonyms

13 names · show all
  • Phosphonic acid, P,P′-(1-hydroxy-2-imidazo[1,2-a]pyridin-3-ylethylidene)bis-
  • Phosphonic acid, (1-hydroxy-2-imidazo[1,2-a]pyridin-3-ylethylidene)bis-
  • Imidazo[1,2-a]pyridine, phosphonic acid deriv.
  • P,P′-(1-Hydroxy-2-imidazo[1,2-a]pyridin-3-ylethylidene)bis[phosphonic acid]
  • YH 529
  • YM 529
  • ONO 5920
  • BPH 261
  • Recalbon
  • Bonoteo
  • [1-Hydroxy-2-(imidazo[1,2-a]pyridin-3-yl)ethylidene]bisphosphonic acid
  • (1-Hydroxy-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl)diphosphonicacid
  • 1-Hydroxy-2-(Imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diphosphonic acid

Work with Minodronic acid

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

Risedronate105462-24-647 % similar Imidazo[1,2-A]pyridine-3-acetic acid17745-04-947 % similar Imidazo[1,2-A]pyridine-3-aceticacid,ethylester101820-69-340 % similar Imidazo[1,2-A]pyridine-3-carboxylic acid6200-60-838 % similar Zoledronic acid118072-93-837 % similar Risedronate sodium115436-72-136 % similar P,P′-(3-Amino-1-hydroxypropylidene)bis[phosphonic acid]40391-99-931 % similar 1,2,4-Triazolo[4,3-A]pyridin-3(2H)-one6969-71-730 % similar

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

Elsewhere

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