Risedronic acid

Iupac Name：(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid

Molecular Weight：305.094092

Modify Date.: 2022-11-05 20:53

Introduction: Risedronic acid is a potentially useful biophosphonate for bone resorption analysis. Risedronic acidSupplier View more+

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1. Names and Identifiers

1.1 Name: Risedronic acid
1.2 Synonyms: (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid (1-hydroxy-2-pyridin-3-ylethane-1,1-diyl)bis(phosphonic acid) [1-Hydroxy-2-(3-pyridinyl)-1,1-ethanediyl]bis(phosphonic acid) [1-Hydroxy-2-(3-pyridinyl)ethylidene]bis(phosphonic acid) [1-Hydroxy-2-(pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid) 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE]BISPHOSPHONIC ACID 1-Hydroxy-2-(3-pyridinyl)ethylidenebisphosphonicacidmonohydrate 1-Hydroxy-2-(3-pyridyl)-ethan-1,1-bis-phosphonic acid 2-(3-Pyridinyl)-1-hydroxyethanediphosphonic acid 3-(Acetic acid)Pyridine Actonel Atelvia MFCD00867080 P,P'-[1-hydroxy-2-(3-pyridinyl)ethylidene]bis-phosphonic acid Phosphonic acid, [1-hydroxy-2-(3-pyridinyl)ethylidene]bis- Phosphonic acid,P,P'-[1-hydroxy-2-(3-pyridinyl)ethylidene]bis- Risedronic acid(Sodium risedronate intermediate) RISEDRONIC ACID: RISEDRONIC ACID MONOHYDRATE T6NJ C1XQPQQO&PQQO[1-Hydroxy-2-(3-pyridinyl)ethylidene]bisphosphonic acid

1.3 CAS No.: 105462-24-6

1.4 CID: 5245

1.5 EINECS(EC#): 600-654-2

1.6 Molecular Formula: C7H11NO7P2 (isomer)

1.7 Inchi: InChI=1S/C7H11NO7P2/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)

1.8 InChkey: IIDJRNMFWXDHID-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

1.10 Isomers Smiles: C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

2. Properties

2.1 Density: 1.87

2.1 Melting point: 252-262

2.1 Boiling point: 692.3 °C at 760 mmHg

2.1 Refractive index: 1.651

2.1 Flash Point: 372.5 °C

2.1 Precise Quality: 283.00100

2.1 PSA: 167.80000

2.1 logP: -0.37440

2.1 Appearance: white crystalline powder

2.2 pKa: 1.41±0.10(Predicted)

2.3 Water Solubility: Appearance:white crystalline powder
Transport Information:HAZARD
Hazard Symbols:UN NO.

3. Use and Manufacturing

3.1 Usage: Risedronic acid is a potentially useful biophosphonate for bone resorption analysis. Risedronic acidSupplier

4. Safety and Handling

4.1 RIDADR: HAZARD

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Corrosive to metals, Category 1

Skin corrosion, Category 1B

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H290 May be corrosive to metals H314 Causes severe skin burns and eye damage H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P234 Keep only in original packaging. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P264 Wash ... thoroughly after handling. 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	P390 Absorb spillage to prevent material damage. P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P406 Store in a corrosion resistant/...container with a resistant inner liner. P405 Store locked up. P403+P233 Store in a well-ventilated place. Keep container tightly closed.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. Synthesis Route

105462-24-6Total: 7 Synthesis Route

501-81-5 82 Suppliers

105462-24-6 156 Suppliers

Literatures:
JUBILANT ORGANOSYS LIMITED Patent: WO2006/51553 A1, 2006 ; Location in patent: Page/Page column 8 ;
Yield: ~98%

6419-36-9 217 Suppliers

105462-24-6 156 Suppliers

Literatures:
FLEMING LABORATORIES LIMITED Patent: WO2009/34580 A1, 2009 ; Location in patent: Page/Page column 7 ;
Yield: ~81%

17747-43-2 11 Suppliers

105462-24-6 156 Suppliers

Literatures:
WO2008/44245 A2, ; Page/Page column 5 ;
Yield: null

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7. Precursor and Product

precursor:

6419-36-9

501-81-5

10294-56-1

17747-43-2

120067-55-2

8. Other Information

8.0 Uses: Risedronic acid is a potentially useful biophosphonate for bone resorption analysis.

8.1 Uses: Risedronic Acid is a pyridinyl biphosphonate bone resorption inhibitor.

9. Computational chemical data

Molecular Weight: 305.094092g/mol
Molecular Formula: C₇H₁₁NO₇P₂
Compound Is Canonicalized: True
XLogP3-AA: -3.1
Exact Mass: 283.00107569
Monoisotopic Mass: 283.00107569
Complexity: 339
Rotatable Bond Count: 4
Hydrogen Bond Donor Count: 5
Hydrogen Bond Acceptor Count: 8
Topological Polar Surface Area: 148
Heavy Atom Count: 17
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBiOAMAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHggACCAADADBmgQ8gJIIEhCgQjBnRICCgCAxAiAI2CA4ZJgIIOLAkZGEYAhkwAHIyAewQAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==