Alendronic acid

Modify Date: 2024-01-06 22:21:39

Alendronic acid Structure
Alendronic acid structure
Common Name Alendronic acid
CAS Number 66376-36-1 Molecular Weight 249.09600
Density 1.857 g/cm3 Boiling Point 616.7ºC at 760 mmHg
Molecular Formula C4H13NO7P2 Melting Point 230-235ºC
MSDS N/A Flash Point 326.7ºC

 Use of Alendronic acid


Alendronic acid, a bisphosphonate, is a farnesyl diphosphate synthase (FDPS) inhibitor. Alendronic acid inhibits osteoclast-mediated bone resorption. Alendronic acid shows efficacy in postmenopausal osteoporosis, malignant hypercalcemia and Paget’s disease[1].

 Names

Name alendronic acid
Synonym More Synonyms

 Alendronic acid Biological Activity

Description Alendronic acid, a bisphosphonate, is a farnesyl diphosphate synthase (FDPS) inhibitor. Alendronic acid inhibits osteoclast-mediated bone resorption. Alendronic acid shows efficacy in postmenopausal osteoporosis, malignant hypercalcemia and Paget’s disease[1].
Related Catalog
In Vitro Bisphosphonates are widely used in the treatment of osteoporosis, and among the bisphosphonates, alendronic acid is the most frequently prescribed drug. Bisphosphonates have powerful inhibitory effects on bone remodeling, a process that is critically important for fracture healing[2].
References

[1]. Teixeira S, et al. Alendronic Acid as Ionic Liquid: New Perspective on Osteosarcoma. Pharmaceutics. 2020 Mar 24;12(3). pii: E293.

[2]. Duckworth AD, et al. Effect of Alendronic Acid on Fracture Healing: A Multicenter Randomized Placebo-Controlled Trial. J Bone Miner Res. 2019 Jun;34(6):1025-1032.

 Chemical & Physical Properties

Density 1.857 g/cm3
Boiling Point 616.7ºC at 760 mmHg
Melting Point 230-235ºC
Molecular Formula C4H13NO7P2
Molecular Weight 249.09600
Flash Point 326.7ºC
Exact Mass 249.01700
PSA 180.93000

 MSDS


Section I.Chemical Product and Company Identification
Chemical Name Alendronic Acid
Portland OR
SynonymPhosphonic acid, P,P'-(4-amino-1-
hydroxybutylidene)bis- (CA INDEX NAME);
4-Amino-1-hydroxybutane-1,1-diphosphonic Acid
Chemical FormulaC4H13NO7P2
CAS Number66376-36-1

Section II.Composition and Information on Ingredients
Toxicology Data
Chemical NameCAS Number Percent (%)TLV/PEL
66376-36-1 Min. 98.0 (T) Not available.Not available.
Alendronic Acid

Section III. Hazards Identification
Acute Health EffectsCorrosive to skin, eyes, and respiratory system. Liquid or spray mist may produce tissue damage, particularly in mucous
membranes of the eyes, mouth and respiratory tract. Skin contact may produce burns. Eye contact can result in corneal
damage or blindness. Inhalation of the spray mist may produce severe irritation of respiratory tract, characterized by
coughing, choking, or shortness of breath. Corrosive materials may cause serious injury if ingested.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
Chronic Health EffectsCARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Reproductive Effects.
Rat TDLo Subcutaneous 2 mg/kg, female 11-20 days of pregnancy
TOXIC Effects:
Specific Developmental Abnormalities - Musculoskeletal system
Repeated exposure of the eyes to a low level of dust can produce eye irritation. Repeated skin exposure can produce
local skin destruction, or dermatitis. Repeated inhalation of dust can produce varying degree of respiratory irritation or
lung damage.

Section IV.First Aid Measures
Eye Contact
Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
minutes. Get medical attention.
Skin ContactIn case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing
before reuse. Thoroughly clean shoes before reuse. Get medical attention.
InhalationIf the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
improve.
IngestionDO NOT INDUCE VOMITING. Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing,
perform mouth-to-mouth resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a
possible indication that the toxic material was ingested; the absence of such signs, however, is not conclusive.

Section V.Fire and Explosion Data
Not available.
Auto-Ignition
FlammabilityMay be combustible at high temperature.
Flammable Limits
Flash PointsNot available.
Not available.
Combustion ProductsThese products are toxic carbon oxides (CO, CO 2), nitrogen oxides (NO, NO2), phosphates.
Fire Hazards
Not available.
Explosion HazardsRisks of explosion of the product in presence of mechanical impact: Not available.
Risks of explosion of the product in presence of static discharge: Not available.
Continued on Next Page
Alendronic Acid
Fire Fighting Media
SMALL FIRE: Use DRY chemical powder.
and InstructionsLARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
Consult with local fire authorities before attempting large scale fire-fighting operations.

Section VI.Accidental Release Measures
Spill Cleanup
Corrosive material.
Stop leak if without risk. DO NOT get water inside container. DO NOT touch spilled material. Use water spray to reduce
Instructions
vapors. Prevent entry into sewers, basements or confined areas; dike if needed. Eliminate all sources of ignition.
Consult federal, state, and/or local authorities for assistance on disposal.

Section VII. Handling and Storage
CORROSIVE. Keep container dry. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the
Handling and Storage
container and store in a dry, cool place. Avoid excessive heat and light. Do not breathe dust. Never add water to this
Information
product. Wear suitable protective clothing. If you feel unwell, seek medical attention and show the label when possible.
Treat symptomatically and supportively.
Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
Engineering ControlsUse process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Personal ProtectionFace shield. Lab coat. Dust respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid
inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling
this product.
Exposure LimitsNot available.

Section IX. Physical and Chemical Properties
Physical state @ 20°CSolid. (White ~ light yellow, crystal.)Solubility
Not available.
Not available.
Specific Gravity
Molecular Weight249.1Partition Coefficient
Not available.
Boiling PointVapor Pressure
Not available.Not applicable.
Not available.Not available.
Melting PointVapor Density
Refractive IndexNot available.VolatilityNot available.
Critical TemperatureNot available.OdorNot available.
ViscosityNot available.TasteNot available.

Section X.Stability and Reactivity Data
Stability
This material is stable if stored under proper conditions. (See Section VII for instructions)
Conditions of Instability
Avoid excessive heat and light.
Incompatibilities
Reactive with oxidizing agents.

Section XI. Toxicological Information
RTECS NumberSZ6521833
Routes of ExposureEye Contact. Ingestion. Inhalation.
Toxicity DataNot available.
CARCINOGENIC EFFECTS : Not available.
Chronic Toxic Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Reproductive Effects.
Rat TDLo Subcutaneous 2 mg/kg, female 11-20 days of pregnancy
TOXIC Effects:
Specific Developmental Abnormalities - Musculoskeletal system
Repeated exposure of the eyes to a low level of dust can produce eye irritation. Repeated skin exposure can produce
local skin destruction, or dermatitis. Repeated inhalation of dust can produce varying degree of respiratory irritation or
lung damage.
Continued on Next Page
Alendronic Acid
Acute Toxic EffectsCorrosive to skin, eyes, and respiratory system. Liquid or spray mist may produce tissue damage, particularly in mucous
membranes of the eyes, mouth and respiratory tract. Skin contact may produce burns. Eye contact can result in corneal
damage or blindness. Inhalation of the spray mist may produce severe irritation of respiratory tract, characterized by
coughing, choking, or shortness of breath. Corrosive materials may cause serious injury if ingested.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.

Section XII.Ecological Information
EcotoxicityNot available.
Environmental FateNot available.

Section XIII. Disposal Considerations
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
Waste Disposal
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state and local regulations when disposing of the substance.

Section XIV. Transport Information
DOT Classification
DOT Class 8: Corrosive material
PIN Number
Proper Shipping Name
Corrosive solid, n.o.s.
Packing Group (PG)III
DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
TSCA Chemical InventoryThis product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40
CFR 720.36 (C) for those products not on the inventory list:
(EPA)
(i) These products are supplied solely for use in research and development by or under the supervision of a technically
qualified individual as defined in 40 CFR 720.0 et sec.
(ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
supplied on an MSDS sheet.
WHMIS Classification
CLASS E: Corrosive solid.
(Canada)
EINECS Number (EEC) Not available.
EEC Risk Statements
R34- Causes burns.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

RIDADR 1759
RTECS SZ6521833
Packaging Group III
HS Code 2931900090

 Synthetic Route

~92%

Alendronic acid Structure

Alendronic acid

CAS#:66376-36-1

Literature: ORCHID CHEMICALS and PHARMACEUTICALS LTD. Patent: US2007/66569 A1, 2007 ; Location in patent: Page/Page column 2 ;

~83%

Alendronic acid Structure

Alendronic acid

CAS#:66376-36-1

Literature: Guenin, Erwann; Monteil, Maelle; Bouchemal, Nadia; Prange, Thierry; Lecouvey, Marc European Journal of Organic Chemistry, 2007 , # 20 p. 3380 - 3391

~59%

Alendronic acid Structure

Alendronic acid

CAS#:66376-36-1

Literature: Guenin, Erwann; Monteil, Maelle; Bouchemal, Nadia; Prange, Thierry; Lecouvey, Marc European Journal of Organic Chemistry, 2007 , # 20 p. 3380 - 3391

~%

Alendronic acid Structure

Alendronic acid

CAS#:66376-36-1

Literature: WO2005/47282 A1, ; Page/Page column 8 ;

~70%

Alendronic acid Structure

Alendronic acid

CAS#:66376-36-1

Literature: Xu, Guangyu; Xie, Yuyuan; Wu, Xihan Organic Preparations and Procedures International, 2004 , vol. 36, # 2 p. 185 - 187

~%

Alendronic acid Structure

Alendronic acid

CAS#:66376-36-1

Literature: Phosphorus, Sulfur and Silicon and the Related Elements, , vol. 63, # 1/2 p. 181 - 192

~%

Alendronic acid Structure

Alendronic acid

CAS#:66376-36-1

Literature: Phosphorus, Sulfur and Silicon and Related Elements, , vol. 129, p. 99 - 110

 Customs

HS Code 2931900090
Summary 2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

 Synonyms

(4-Amino-1-hydroxybutane-1,1-diyl)diphosphonic acid
(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid
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