CAS Number114084-78-5
Synonyms{1-Hydroxy-3-[methyl(pentyl)amino]propane-1,1-diyl}bis(phosphonic acid); Bondronat; [1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid; ibandronic acid; Ibandronic acid [BAN:INN]; (1-Hydroxy-3-(methylpentylamino)propylidene)bisphosphonic acid; {1-Hydroxy-3-[methyl(pentyl)amino]-1,1-propanediyl}bis(phosphonic acid); {1-hydroxy-3-methyl(pentyl)aminopropane-1,1-diyl}bis(phosphonic acid); (1-Hydroxy-3-(methyl(pentyl)amino)propane-1,1-diyl)diphosphonic acid
Molecular FormulaC9H23NO7P2
Molecular Weight319.23
Purity98%
Density1.5±0.1 g/cm3
Boiling Point587.8±60.0 °C at 760 mmHg
Melting Point113-115ºC
AppearanceWhite semi-solid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 114084-78-5 |
| Catalog No. | 2A-9010880 |
| Chinese Name | 伊班膦酸 |
| Synonyms | {1-Hydroxy-3-[methyl(pentyl)amino]propane-1,1-diyl}bis(phosphonic acid); Bondronat; [1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid; ibandronic acid; Ibandronic acid [BAN:INN]; (1-Hydroxy-3-(methylpentylamino)propylidene)bisphosphonic acid; {1-Hydroxy-3-[methyl(pentyl)amino]-1,1-propanediyl}bis(phosphonic acid); {1-hydroxy-3-methyl(pentyl)aminopropane-1,1-diyl}bis(phosphonic acid); (1-Hydroxy-3-(methyl(pentyl)amino)propane-1,1-diyl)diphosphonic acid |
| Molecular Formula | C9H23NO7P2 |
| Molecular Weight | 319.23 |
| Purity | 98 |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 587.8±60.0 °C at 760 mmHg |
| Melting Point | 113-115ºC |
| Appearance | White semi-solid |
| Storage Condition | -20°C Freezer |
| Application | Ibandronic acid is a highly effective nitrogen-containing bisphosphonate that can treat osteoporosis. |
| HTC | 2931900090 |
| MDL Number | C9H23NO7P2 |
| SMILES | CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O |
| InChI | InChI=1S/C9H23NO7P2.Na/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); |
| InChI Key | MPBVHIBUJCELCL-UHFFFAOYSA-N |
| MSDS | msds/10880_1_114084_78_5.pdf |
| Use of | Properties Name Ibandronate Synonym More Synonyms ibandronic acid Biological Activity Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Others References [1]. Morgan, C., S. Jeremiah, and J. Wagstaff, Metronomic administration of ibandronate and its anti-angiogenic effects in vitro. Microvasc Res, 2009. 78(3): p. 453-8. [2]. Epplen, R., et al., Differential effects of ibandronate, docetaxel and farnesol treatment alone and in combination on the growth of prostate cancer cell lines. Acta Oncol, 2011. 50(1): p. 127-33. [3]. Chesnut, I.C., et al., Effects of oral ibandronate administered daily or intermittently on fracture risk in postmenopausal osteoporosis. J Bone Miner Res, 2004. 19(8): p. 1241-9. [4]. Bauss, F., et al., Effects of treatment with ibandronate on bone mass, architecture, biomechanical properties, and bone concentration of ibandronate in ovariectomized aged rats. J Rheumatol, 2002. 29(10): p. 2200-8. Chemical & Physical Properties Molecular Formula C9H23NO7P2 Exact Mass 319.094971 PSA 158.15000 LogP -0.65 Index of Refraction 1.538 InChIKey MPBVHIBUJCELCL-UHFFFAOYSA-N SMILES CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O Safety Information HS Code 2931900090 Synthetic Route Total: 1 Page N-(n-pentyl)-N-... CAS#:287395-61-3 ibandronic acid CAS#:114084-78-5 Literature: Journal of Medicinal Chemistry, , vol. 45, # 17 p. 3721 - 3738 Precursor & DownStream Precursor 1 CAS#:287395-61-3 N-(n-pentyl)-N-... DownStream 2 CAS#:138844-81-2 Ibandronate sodium CAS#:138926-19-9 Ibandronate sodium |
| Tax Rebate | 13.0% |
| Supervision | AB (Inbound cargo customs clearance form) |
| Transport Info | Product name: Ibandronic acid |
| Related Products in Specialty Chemicals | ||
|---|---|---|
| Hyodeoxycholic acid | 83-49-8 | 2A-9010874 |
| Hyoscyamine | 101-31-5 | 2A-9010875 |
| Hyoscyamine sulfate | 620-61-1 | 2A-9010876 |
| Hypocrellin A | 77029-83-5 | 2A-9010878 |
| Hypocrellin B | 123940-54-5 | 2A-9010879 |
| Ibopamine | 66195-31-1 | 2A-9010882 |
| Ibutilide | 122647-31-8 | 2A-9010884 |
| Ichthammol | 8029-68-3 | 2A-9010886 |
| Icopezil | 145508-78-7 | 2A-9010887 |
| Idazoxan | 79944-58-4 | 2A-9010891 |
| Browse all Specialty Chemicals products » | ||
Phone:
630-322-8886
630-322-8887
Email:
Office Locations:
Chicago, IL, USA
San Francisco, CA, USA
EN
SDS