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Ibandronate sodium monohydrate(CAS No. 138926-19-9)

Ibandronate sodium monohydrate C9H24NNaO8P2 (cas 138926-19-9) Molecular Structure

138926-19-9 Structure

Identification and Related Records

【Name】
Ibandronate sodium monohydrate
【Iupac name】
sodium
hydroxy-[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphinate
hydrate
【CAS Registry number】
138926-19-9
【Synonyms】
Phosphonicacid, [1-hydroxy-3-(methylpentylamino)propylidene]bis-, monosodium salt,monohydrate (9CI)
BM 21.0955Na.H2O
BM 21.0955 . Na . H2O
Monosodiumibandronate monohydrate
Sodium trihydrogen (1-hydroxy-3-(methylpentylamino)propylidene)diphosphonate, monohydrate
【Molecular Formula】
C9H24NNaO8P2 (Products with the same molecular formula)
【Molecular Weight】
341.21
【Inchi】
InChI=1/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
【Canonical SMILES】
CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)[O-].O.[Na+]
【MOL File】
138926-19-9.mol

Chemical and Physical Properties

【Appearance】
White Crystalline Powder
【Density】
==
【Melting Point】
84°C (dec)
【Boiling Point】
587.8 °C at 760 mmHg
【Vapour】
2.88E-16mmHg at 25°C
【Flash Point】
309.3 °C
【Computed Properties】
Molecular Weight:359.226052 [g/mol]
Molecular Formula:C9H24NNaO8P2
H-Bond Donor:5
H-Bond Acceptor:9
Rotatable Bond Count:9
Exact Mass:359.087484
MonoIsotopic Mass:359.087484
Topological Polar Surface Area:142
Heavy Atom Count:21
Formal Charge:0
Complexity:377
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:3

Safety and Handling

【Hazard Codes】
Xn: Harmful;
【Risk Statements】
R40
【Safety Statements 】
22-36
【Safety】

Hazard Codes:?HarmfulXn
Risk Statements: 40?
R40:Limited evidence of a carcinogenic effect.
Safety Statements: 22-36?
S22:Do not breathe dust.?
S36:Wear suitable protective clothing.

【Specification】

?Ibandronate sodium?,?its cas register number is 138926-19-9. It also can be called?Ibandronate sodium monohydrate ; Sodium trihydrogen (1-hydroxy-3-
(methylpentylamino)propylidene)diphosphonate, monohydrate ; UNII-J12U072QL0 .

Use and Manufacturing

【Usage】

Inhibits bone resorption as a sodium salt and complexed with technetium Tc 99m for bone imaging. The monophosphonates are not active. Biphosphonates are used in disorders affecting the skeleton such as asteoporosis, metastatic disease, and Paget d

Biomedical Effects and Toxicity

【Pharmacological Action】
- Agents that inhibit BONE RESORPTION and/or favor BONE MINERALIZATION and BONE REGENERATION. They are used to heal BONE FRACTURES and to treat METABOLIC BONE DISEASES such as OSTEOPOROSIS.

Supplier Location

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Business Type:Manufacturer
Telephone:86-20-18102838259

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