Ibandronic acid CAS 114084-78-5
Introduction：Basic information about Ibandronic acid CAS 114084-78-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Ibandronic acid Basic information
| Product Name: | Ibandronic acid |
| Synonyms: | {1-Hydroxy-3-(methylpentylamino)propylidene]bisphosphnic Acid;[1-Hydroxy-3-(methyl-d3-pentylamino)propylidene]bisphosphnic Acid;Ibandronic;IBANDRONIC ACID-D3;1-Hydroxy-3-(methylpentylamino)propylidene bisphosphonic acid;Ibandronic acid;P,P'-[1-Hydroxy-3-(methylpentylamino)propylidene]bisphosphonic Acid;Ibadronic Acid |
| CAS: | 114084-78-5 |
| MF: | C9H23NO7P2 |
| MW: | 319.23 |
| EINECS: | |
| Product Categories: | Phosphorylating and Phosphitylating Agents;Inhibitors;Intermediates & Fine Chemicals;Pharmaceuticals;Isotope Labeled Compounds;anti-osteoporosis |
| Mol File: | 114084-78-5.mol |
Ibandronic acid Chemical Properties
| 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) |
| pka | 1.60±0.10(Predicted) |
| form | Solid |
| color | White to Off-White |
| Stability: | Hygroscopic |
| InChI | InChI=1S/C9H23NO7P2/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) |
| InChIKey | MPBVHIBUJCELCL-UHFFFAOYSA-N |
| SMILES | C(P(=O)(O)O)(P(=O)(O)O)(O)CCN(C)CCCCC |
| 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) |
Safety Information
| Description | This third generation biphosphonate was launched in Austria and Germanyfor the treatment of bone disorders such as hypercalcemia in malignancy andostedysis, Paget's disease and osteoporosis. It does not effect bone mineralization,therefore, the potential risk of osteomalacia is prevented. This was a problem withfirst generation derivatives. While the exact mode of action is not understood, theyare inhibitors of osteroclast mediated bone resorption. These compounds stronglyinteract with hydroxyapatite crystals and have a half-life in the skeleton of severalyears. Despite this observation ibandronate was well tolerated and safe. |
| Chemical Properties | White Solid |
| Originator | Boehringer Mannheim (Germany) |
| Uses | Labelled Ibandronic Acid (I120000). A bisphosphonate antiresorptive agent. Bone resorption inhibitor. |
| Uses | A bisphosphonate antiresorptive agent. Bone resorption inhibitor. |
| Uses | A biphosphonate bone resorption inhibitor. |
| Uses | A labeled biphosphonate bone resorption inhibitor. |
| Brand name | Bondronat |
| Clinical Use | Bisphosphonate: Reduction of bone damage in bone metastases inbreast cancer Hypercalcaemia of malignancy Postmenopausal osteoporosis |
| Metabolism | After initial systemic exposure, ibandronic acid rapidlybinds to bone or is excreted into urine. There is noevidence that ibandronic acid is metabolised in animalsor humans. The absorbed fraction of ibandronic acidis 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 eliminatedunchanged in the faeces. Renal clearance accounts for50-60% of total clearance and is related to creatinineclearance. The difference between the apparent total andrenal clearances is considered to reflect the uptake bybone. |
Ibandronic acid Preparation Products And Raw materials
| Preparation Products | Ibandronate sodium monohydrate |
