chempirical

Zoledronic acid

C5H10N2O7P2CAS 118072-93-8272.09 g/mol

Open in Covalent MOL file
OPOHHOHONNPOHOHO
AlcoholPhosphonate

Properties

Molecular formula
C5H10N2O7P2
Molar mass
272.09 g/mol
Exact mass
271.9963 Da
Melting point
237–240 °C
logP
-1.12Crippen estimate
Polar surface area
153.1 Ų
H-bond donors / acceptors
5 / 4
Rotatable bonds
4

Identifiers

CAS number
118072-93-8
SMILES
O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O
InChIKey
XRASPMIURGNCCH-UHFFFAOYSA-N
InChI
InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)

Weigh it out

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

Names and synonyms

17 names · show all
  • Phosphonic acid, P,P′-[1-hydroxy-2-(1H-imidazol-1-yl)ethylidene]bis-
  • [1-Hydroxy-2-(1H-imidazol-1-yl)-1-phosphonoethyl]phosphonic acid
  • (1-Hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid
  • 1-Hydroxy-2-(1-imidazolyl)ethane-1,1-diphosphonic acid
  • Phosphonic acid, [1-hydroxy-2-(1H-imidazol-1-yl)ethylidene]bis-
  • P,P′-[1-Hydroxy-2-(1H-imidazol-1-yl)ethylidene]bis[phosphonic acid]
  • (1-Hydroxy-2-imidazol-1-ylethylidene)diphosphonic acid
  • CGP 42446
  • Zoledronate
  • Zometa
  • 1-Hydroxy-2-(1H-imidazol-1-yl)ethylidene-1,1-bisphosphonic acid
  • ZOL 446
  • 2-(Imidazol-1-yl)-1-hydroxy-1,1′-ethylidenediphosphonic acid
  • BPH 91
  • Reclast
  • Orazol
  • Aclasta

Work with Zoledronic 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

Risedronate105462-24-641 % similar 1-Allylimidazole31410-01-241 % similar Imidazole-1-ethanol1615-14-138 % similar 1H-Imidazole-1-acetic acid22884-10-238 % similar P,P′-(3-Amino-1-hydroxypropylidene)bis[phosphonic acid]40391-99-937 % similar Minodronic acid180064-38-437 % similar 1-Ethylimidazole7098-07-936 % similar Alendronic acid66376-36-135 % similar

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

Elsewhere

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