IBANDRONATE SODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII J12U072QL0
Parent Compound:

Structure

InChI Key VBDRTGFACFYFCT-UHFFFAOYSA-M
Smiles CCCCCN(C)CCC(O)(P(=O)([O-])O)P(=O)(O)O.O.[Na+]
InChI
InChI=1S/C9H23NO7P2.Na.H2O/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17;;/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17);;1H2/q;+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H24NNaO8P2
Molecular Weight 359.23
AlogP 0.5
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 9.0
Polar Surface Area 138.53
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Farnesyl diphosphate synthase inhibitor INHIBITOR PubMed PubMed PubMed DailyMed

Target Conservation

Protein: Farnesyl diphosphate synthase
Description: Farnesyl pyrophosphate synthase
Organism : Homo sapiens
P14324 ENSG00000160752

Cross References

Resources Reference
ChEMBL CHEMBL3989569
FDA SRS J12U072QL0
PubChem 23663991
SureChEMBL SCHEMBL1120210
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