Disodium pamidronate pentahydrate

C₃H₁₉NNa₂O₁₂P₂CAS 109552-15-0369.11 g/mol

Open in Covalent MOL file

Alcohol Phosphonate Primary amine

Properties

Molecular formula: C₃H₁₉NNa₂O₁₂P₂
Molar mass: 369.11 g/mol
Exact mass: 369.0178 Da
logP: -6.55Crippen estimate
Polar surface area: 318.8 Å²
H-bond donors / acceptors: 6 / 4
Rotatable bonds: 4

Identifiers

CAS number

109552-15-0

SMILES

NCCC(O)(P([O-])([O-])=O)P(=O)(O)O.O.O.O.O.O.[Na+].[Na+]

InChIKey

LOQDXDBJGWSFHH-UHFFFAOYSA-N

InChI

InChI=1S/C3H11NO7P2.2Na.5H2O/c4-2-1-3(5,12(6,7)8)13(9,10)11;;;;;;;/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11);;;5*1H2

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Names and synonyms

2 names

Phosphonic acid, P,P′-(3-amino-1-hydroxypropylidene)bis-, sodium salt, hydrate (1:2:5)
Phosphonic acid, (3-amino-1-hydroxypropylidene)bis-, disodium salt, pentahydrate

Work with Disodium pamidronate pentahydrate

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

Pamidronate disodium57248-88-191 % similar Alendronate monosodium trihydrate121268-17-561 % similar P,P′-(3-Amino-1-hydroxypropylidene)bis[phosphonic acid]40391-99-960 % similar Alendronate sodium129318-43-055 % similar Disodium clodronate tetrahydrate88416-50-649 % similar Alendronic acid66376-36-149 % similar Etidronate disodium7414-83-744 % similar Clodronate sodium22560-50-541 % similar

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

Elsewhere

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