Sodium risedronate
- Iupac Name：sodium;hydroxy-(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphinate
- CAS No.: 115436-72-1
- Molecular Weight：305.094
- Modify Date.: 2022-11-06 03:30
- Introduction: Risedronate sodium is a nitrogen-containing bisphosphonate that inhibits osteoclast-mediated bone resorption and modulates bone metabolism.Risedronate sodium is used for the treatment of postmenopausal osteoporosis to reduce the risk of vertebral fractures, treatment of established postmenopausal osteoporosis to reduce the risk of hip fractures, treatment of osteoporosis in men at high risk of fractures, and treatment of Paget’s disease. It is marketed as Actonel (tablet) and Atelvia (delayed-release tablet).
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1. Names and Identifiers
- 1.1 Name
- Sodium risedronate
- 1.2 Synonyms
(1-hydroxy-2-(3-pyridinyl)ethylidene)bis-phosphonicacimonosodiumsalt [1-Hydroxy-2-(3-pyridinyl)ethylidene]bis(phosphonic acid), sodium salt (1:1) [1-hydroxy-2-(3-pyridinyl)ethylidene]-bis[phosphonic acid] monosodium salt Actonel Benet hydrogène (1-hydroxy-1-phosphono-2-pyridin-3-yléthyl)phosphonate de sodium MFCD01706268 Natriumhydrogen-(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonat Optinate P,P'-[1-Hydroxy-2-(3-pyridonyl)ethylidene]bis-phosphonic acid sodium salt phosphonic acid, [1-hydroxy-2-(3-pyridinyl)ethylidene]bis-, monosodium salt Phosphonic acid, [1-hydroxy-2-(3-pyridinyl)ethylidene]bis-, sodium salt (1:1) RISEDREMATE SODIUM RISEDRONATE NA RISEDRONATE SODIUM risedronate，RID Risedronic acid monosodium salt Risedronic acid sodium salt RISEDRONIC ACID, SODIUM SALT sodium hydrogen (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonate Sodium hydrogen [1-hydroxy-1-phosphono-2-(3-pyridinyl)ethyl]phosphonate sodium hydrogen [1-hydroxy-1-phosphono-2-(pyridin-3-yl)ethyl]phosphonate sodium hydrogen-1-hydroxy-1-phosphono-2-(pyridin-3-yl)ethylphosphonate T6NJ C1XQPQQO&PQQO &&Mono Na salt
- 1.3 CAS No.
- 115436-72-1
- 1.4 CID
- 4194514
- 1.5 EINECS(EC#)
- 601-362-8
- 1.6 Molecular Formula
- C7H10NNaO7P2 (isomer)
- 1.7 Inchi
- InChI=1S/C7H11NO7P2.Na/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6;/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15);/q;+1/p-1
- 1.8 InChkey
- DRFDPXKCEWYIAW-UHFFFAOYSA-M
- 1.9 Canonical Smiles
- C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)[O-].[Na+]
- 1.10 Isomers Smiles
- C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)[O-].[Na+]
2. Properties
- 2.1 Melting point
- 252-262°C
- 2.1 Boiling point
- 692.3 °C at 760 mmHg
- 2.1 Flash Point
- 372.5 °C
- 2.1 Precise Quality
- 304.98300
- 2.1 PSA
- 170.63000
- 2.1 logP
- 0.06380
- 2.1 Solubility
- H2O: soluble5mg/mL, clear (warmed)
- 2.2 Appearance
- Fine White to Off-White Crystalline Powder
- 2.3 Storage
- Store at RT
- 2.4 Chemical Properties
- Fine White to Off-White Crystalline Powder
- 2.5 Color/Form
- white to beige
- 2.6 Water Solubility
- Soluble (insoluble in alcohols, organic solvents)
- 2.7 StorageTemp
- room temp
3. Use and Manufacturing
- 3.1 Usage
- Risedronic Acid is a pyridinyl biphosphonate bone resorption inhibitor.
4. Safety and Handling
- 4.1 Symbol
- GHS07;
- 4.1 Signal Word
- Warning
- 4.1 Risk Statements
- 62-64
- 4.1 Safety Statements
- 20-22-36/37
- 4.1 Hazard Declaration
- H302 + H312 + H332
- 4.1 RIDADR
- NONH for all modes of transport
- 4.1 Caution Statement
- P280
- 4.1 WGK Germany
- 3
- 4.1 RTECS
- SZ8567500
- 4.1 Safety
-
Human systemic effects. When heated to decomposition it emits toxic vapors of NOx and POx.
- 4.2 Specification
-
?Synonyms of Sodium risedronate (CAS NO.115436-72-1) are Risedronate sodium [USAN] ; Actonel ; Monosodium (1-hydroxy-2-(3-pyridinyl)ethylidene)bisphosphonate ; NE 58095 ; Risedronate sodium ; Sodium trihydrogen (1-hydroxy-2-(3-pyridyl)ethylidene)diphosphonate ; UNII-OFG5EXG60L ; Phosphonic acid, (1-hydroxy-2-(3-pyridinyl)ethylidene)bis-, monosodium salt .
- 4.3 Toxicity
-
| Organism |
Test Type |
Route |
Reported Dose (Normalized Dose) |
Effect |
Source |
| women |
TDLo |
oral |
1800ug/kg/3D- (1.8mg/kg) |
SENSE ORGANS AND SPECIAL SENSES: IRITIS: EYE |
Lancet. Vol. 341, Pg. 436, 1993. |
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Acute toxicity - Oral, Category 4
Acute toxicity - Dermal, Category 4
Acute toxicity - Inhalation, Category 4
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area. |
| Response | P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. |
| Storage | none |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
7. Other Information
- 7.0 References
- [1] https://www.medicines.org.uk
[2] http://www.rxlist.com
[3] http://www.healthline.com
- 7.1 Chemical Properties
- Fine White to Off-White Crystalline Powder
- 7.2 Uses
- Risedronic Acid is a pyridinyl biphosphonate bone resorption inhibitor.
- 7.3 Uses
- antibacterial
- 7.4 Uses
- Osteoporosis
- 7.5 Brand name
- Actonel (Procter & Gamble).
- 7.6 Hazard
- Human systemic effects.
- 7.7 Biological Activity
- Orally active biphosphonate that inhibits farnesyl diphosphate (FPP) synthase. Exhibits antiproliferative and proapoptotic activity in numerous tumor cell lines and inhibits osteoclast-mediated bone reabsorption in vivo .
- 7.8 Description
- Risedronate sodium was launched as Actonel in the US for treatment of Paget's disease. Risedronic acid is readily obtained by condensation of 2-(3- pyridyl)acetic acid with phosphorous acid in presence of phosphorus oxychloride. Risedronate sodium is an orally active bisphosphonate of third generation, showing more potent bone antiresorptive properties than most of prior bisphosphonates like etidronate which has been used for the same indication since 1978. The biological mechanism by which Risedronate, and generally bisphosphonates, act is not quite clear presently ; recent advances have suggested that aminobisphosphonates interfere with the HMG-CoA pathway and inhibit protein prenylation, causing apoptosis of osteoclasts and macrophages. These apoptotic effects are correlated to the anti-resorptive properties of this class of compounds. In a 2 month clinical trial involving patients with Paget's desease, 30 mg risedronate daily achieved an appreciable reduction of serum alkaline phosphatase levels, an indicator of bone stabilization, in 77% of patients, compared with 11% on etidronate at 400 mg daily for 6 months. Risedronate is also in development for the treatment and prevention of various bone diseases, particularly post-menopausal and corticosteroid-induced osteoporosis.
- 7.9 Originator
- Procter Gamble (US)
- 7.10 Brand name
- Actonel (Procter & Gamble).
- 7.11 Biochem/physiol Actions
- Risedronate sodium is a bisphosphonate bone resorption inhibitor. It has an affinity for hydroxyapatite crystals in bone and acts as an antiresorptive agent and is an inhibitor of farnesyl diphosphate (FPP) synthase, which results in downstream inhibition of osteoclast activity and reduced bone resorption and turnover. Risedronate sodium has been used to treat postmenopausal osteoporosis and Paget′s disease.
8. Computational chemical data
- Molecular Weight: 305.094g/mol
- Molecular Formula: C7H10NNaO7P2
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 304.98301994
- Monoisotopic Mass: 304.98301994
- Complexity: 375
- Rotatable Bond Count: 4
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Topological Polar Surface Area: 151
- Heavy Atom Count: 18
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 2
- CACTVS Substructure Key Fingerprint: AAADccBiOCMAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHggACCAADADBmgQ8gJIIEhCgQjBnRICCgCAxAiAI2CA4ZJgIIOLAkZGEYAhkwAHIyAewQAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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