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Ibandronate sodium 1000mg

CAT: 0628-A11870-1000Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0628-A11870-1000Size:1000 mg
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CAS Number
138926-19-9

Chemical Information

Ibandronate Sodium

Ibandronate Sodium is the sodium salt form of ibandronic acid, a synthetic nitrogen-containing bisphosphonate. Ibandronic acid inhibits farnesyl pyrophosphate synthase, resulting in a reduction in geranylgeranyl GTPase signaling proteins and apoptosis of osteoclasts. This agent increases bone mineral density, decreases bone remodeling, inhibits osteoclast-mediated bone resorption, and reduces metastases-related and corticosteroid-related bone pain.

CAS Number138926-19-9
PubChem CID23663991
IUPAC Namesodium;hydroxy-[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphinate;hydrate
Molecular FormulaC9H24NNaO8P2
Molecular Weight359.23
Topological Polar Surface Area142
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count21
Formal Charge0
Complexity377
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
InChIKey
VBDRTGFACFYFCT-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Ibandronate Sodium
CAS: 138926-19-9
CID: 23663991
Formula: C9H24NNaO8P2
MW: 359.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.23
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass359.08748500
Monoisotopic Mass359.08748500
Topological Polar Surface Area142 Ų
Heavy Atom Count21
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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