Ibandronate sodium structure, CAS 138926-19-9

Ibandronate sodium

CAS Number138926-19-9

SynonymsSodium trihydrogen (1-hydroxy-3-(methylpentylamino)propylidene)diphosphonate, monohydrate.; Phosphonic acid, [1-hydroxy-3-(methylpentylamino)propylidene]bis-, sodium salt, hydrate (1:1:1); Ibandronic acid monosodium salt monohydrate; Ibandronate sodium hydrate; Ibandronate sodium monohydrate; sodium,hydroxy-[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphinate,hydrate; BM 21.0955Na.H2O; (1-Hydroxy-3-(methylpentylamino)propylidene)bisphosphonic acid sodium; Sodium hydrogen {1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonate hydrate (1:1:1); Phosphonic acid, (1-hydroxy-3-(methylpentylamino)propylidene)bis-, monosodium salt, monohydrate; MFCD00912167; Ibandronate (Sodium Monohydrate)

Molecular FormulaC9H24NNaO8P2

Molecular Weight359.23

Purity98%

Density

Boiling Point587.8ºC at 760 mmHg

Melting Point84ºC (dec)

Flash Point

AppearanceWhite crystalline powder

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9010881 Purity: 98%
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Quality Control of [ 138926-19-9 ] Purity: 98% SDS Specification MoL

Chemical & Physical Properties
CAS Number138926-19-9
Catalog No.2A-9010881
Chinese Name伊班膦酸钠
SynonymsSodium trihydrogen (1-hydroxy-3-(methylpentylamino)propylidene)diphosphonate, monohydrate.; Phosphonic acid, [1-hydroxy-3-(methylpentylamino)propylidene]bis-, sodium salt, hydrate (1:1:1); Ibandronic acid monosodium salt monohydrate; Ibandronate sodium hydrate; Ibandronate sodium monohydrate; sodium,hydroxy-[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphinate,hydrate; BM 21.0955Na.H2O; (1-Hydroxy-3-(methylpentylamino)propylidene)bisphosphonic acid sodium; Sodium hydrogen {1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonate hydrate (1:1:1); Phosphonic acid, (1-hydroxy-3-(methylpentylamino)propylidene)bis-, monosodium salt, monohydrate; MFCD00912167; Ibandronate (Sodium Monohydrate)
Molecular FormulaC9H24NNaO8P2
Molecular Weight359.23
Purity98
Boiling Point587.8ºC at 760 mmHg
Melting Point84ºC (dec)
AppearanceWhite crystalline powder
Storage Condition-20°C Freezer
ApplicationIbandronate sodium salt monohydrate is a highly active nitrogen-containing diphosphate and can be used for osteoporosis.
HTC2922199090
SMILES[Na+].[P](=O)([O-])(O)[C@]([P](=O)(O)O)(O)CCN(CCCCC)C.O
InChI1S/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
InChI KeyVBDRTGFACFYFCT-UHFFFAOYSA-M
NACRES CodeNA.24
UNSPSC41116107
MSDSmsds/10881_1_138926_19_9.pdf
Use ofProperties Name Ibandronate Sodium Monohydrate Synonym More Synonyms Ibandronate sodium 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 C9H24NNaO8P2 Exact Mass 359.087494 PSA 170.21000 LogP 0.87390 Safety Information Hazard Codes Xn: Harmful; Risk Phrases R40 Safety Phrases 22-36 HS Code 2922199090 Synthetic Route ibandronic acid CAS#:114084-78-5 Ibandronate sodium CAS#:138926-19-9 1-hydroxy-3-(N-... CAS#:1263180-40-0 Ibandronate sodium CAS#:138926-19-9 Sodium hydroxide CAS#:1310-73-2 ibandronic acid CAS#:114084-78-5 Ibandronate sodium CAS#:138926-19-9 Precursor & DownStream Precursor 4 CAS#:114084-78-5 ibandronic acid CAS#:1263180-40-0 1-hydroxy-3-(N-... CAS#:1330-43-4 Sodium tetraborate CAS#:127-09-3 Sodium acetate DownStream 0
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 30.0%
Transport InfoProduct name: Summary 2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
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