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ChemicalBook--->CAS DataBase List--->114084-78-5

114084-78-5

114084-78-5 Structure

114084-78-5 Structure
IdentificationMore
[Name]

Ibandronic acid
[CAS]

114084-78-5
[Synonyms]

IBANDRONIC ACID-D3
{1-Hydroxy-3-(methylpentylamino)propylidene]bisphosphnic Acid
[1-Hydroxy-3-(methyl-d3-pentylamino)propylidene]bisphosphnic Acid
Ibandronic
1-Hydroxy-3-(methylpentylamino)propylidene bisphosphonic acid
Ibandronic acid
P,P'-[1-Hydroxy-3-(methylpentylamino)propylidene]bisphosphonic Acid
[Molecular Formula]

C9H23NO7P2
[MDL Number]

MFCD00868772
[Molecular Weight]

319.23
[MOL File]

114084-78-5.mol
Chemical PropertiesBack Directory
[Appearance]

White Solid
[Melting point ]

113-115°C
[Boiling point ]

587.8±60.0 °C(Predicted)
[density ]

1.449±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Store in freezer, under -20°C
[solubility ]

Aqueous Base (Slightly), Methanol (Slightly), Water (Slightly)
[form ]

Solid
[pka]

1.60±0.10(Predicted)
[color ]

White to Off-White
[Usage]

A labeled biphosphonate bone resorption inhibitor.
[Stability:]

Hygroscopic
[CAS DataBase Reference]

114084-78-5(CAS DataBase Reference)
[EPA Substance Registry System]

Phosphonic acid, P,P'-[1-hydroxy-3-(methylpentylamino)propylidene]bis- (114084-78-5)
Hazard InformationBack Directory
[Description]

This third generation biphosphonate was launched in Austria and Germany for the treatment of bone disorders such as hypercalcemia in malignancy and ostedysis, Paget's disease and osteoporosis. It does not effect bone mineralization, therefore, the potential risk of osteomalacia is prevented. This was a problem with first generation derivatives. While the exact mode of action is not understood, they are inhibitors of osteroclast mediated bone resorption. These compounds strongly interact with hydroxyapatite crystals and have a half-life in the skeleton of several years. Despite this observation ibandronate was well tolerated and safe.
[Chemical Properties]

White Solid
[Originator]

Boehringer Mannheim (Germany)
[Uses]

A biphosphonate bone resorption inhibitor.
[Uses]

A bisphosphonate antiresorptive agent. Bone resorption inhibitor.
[Uses]

A labeled biphosphonate bone resorption inhibitor.
[Brand name]

Bondronat
[Clinical Use]

Bisphosphonate:

Reduction of bone damage in bone metastases in breast cancer

Hypercalcaemia of malignancy

Postmenopausal osteoporosis
[Drug interactions]

Potentially hazardous interactions with other drugs
None known
[Metabolism]

After initial systemic exposure, ibandronic acid rapidly binds to bone or is excreted into urine. There is no evidence that ibandronic acid is metabolised in animals or humans. The absorbed fraction of ibandronic acid is removed from the circulation via bone absorption (estimated to be 40-50% in postmenopausal women) and the remainder is eliminated unchanged by the kidney. The unabsorbed fraction of ibandronic acid is eliminated unchanged in the faeces. Renal clearance accounts for 50-60% of total clearance and is related to creatinine clearance. The difference between the apparent total and renal clearances is considered to reflect the uptake by bone.
Spectrum DetailBack Directory
[Spectrum Detail]

Ibandronic acid(114084-78-5)1HNMR
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