阿仑膦酸

Description

Alendronic Acid · CAS 66376-36-1 · C4H13NO7P2. UNII X1J18R4W8P. Melting Point: 235; Melting Point: 233-235 °C (decomposes); Dissociation Constants: 2.72 (at 25 °C).

Identification

CAS Registry Number	66376-36-1
PubChem CID	2088
Molecular formula	C4H13NO7P2
IUPAC name	(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid
UNII (FDA)	X1J18R4W8P

Computed Descriptors

Molecular Weight	249.10
XLogP3	-6.5
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	249.01672575
Monoisotopic Mass	249.01672575
Topological Polar Surface Area	161
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

Melting Point	235
Melting Point	233-235 °C (decomposes)
Dissociation Constants	2.72 (at 25 °C)

Physical description & handling notes

• Solid
• Fine white powder
• MP: 257-262.5 °C. Soluble in water; very slightly soluble in alcohol. Practically insoluble in chloroform. /Alendronic acid, monosodium salt trihydrate/
• pKa1 = 2.72; pKa2 = 8.73; pKa3 = 10.5; pKa4 = 11.6 (all at 25 °C)
• Alendronic acid tablets have a very low oral bioavialability. After administration it distributes into soft tissue and bone or is excreted in the urine. Alendronic acid does not undergo metabolism.
• Alendronate Sodium preparations: (AHFS, 2011)

Regulatory Status

GHS notification summary	16.7% (1 / 6)

GHS Hazard Classification

GHS notification summary	16.7% (1 / 6)
Reported hazard statements	H290 (16.7%), H302 (16.7%), H314 (66.7%), H315 (16.7%), H318 (16.7%), H319 (16.7%), H361 (16.7%), H371 (16.7%)

Documented Uses

• Use (kg; approx.) in Germany (2009): >1000
• Consumption (g per capita; approx.) in Germany (2009): 0.0122
• Consumption (g per capita) in the USA (2002): 0.0155
• For the treatment and prevention of osteoporosis in women and Paget's disease of bone in both men and women.
• Orthophosphorous acid is heated with 4-aminobutyric acid in an atmosphere of nitrogen and phosphorous trichloride is added to the melt. Finally, water is added, the solution is decolorized with charcoal, and diluted with methanol to precipitate the free acid which is treated with one equivalent of sodium hydroxide. /Alendronate sodium/
• Alendronic acid is indicated for the treatment and prevention of osteoporosis in men and postmenopausal women, treatment of glucocorticoid-induced osteoporosis, and Paget's disease of bone. However, alendronic acid is not indicated for use in pediatric populations or patients with a creatinine clearance <35mL/min.

Synonyms

ALENDRONIC ACID; alendronate; 66376-36-1; (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid; Acido alendronico; Acide alendronique; Arendal; Acidum alendronicum; (4-Amino-1-hydroxybutylidene)bisphosphonic acid; ABDP; (4-amino-1-hydroxybutane-1,1-diyl)bis(phosphonic acid); 4-Amino-1-hydroxybutane-1,1-diphosphonic Acid; Phosphonic acid, (4-amino-1-hydroxybutylidene)bis-; MK 217; X1J18R4W8P; 4-Amino-1-hydroxybutylidene-1,1-bis(phosphonic acid)

Frequently Asked Questions

What are the CAS number and molecular formula of Alendronic Acid?

CAS 66376-36-1; molecular formula C4H13NO7P2; molecular weight — g/mol.

What other names is Alendronic Acid known by?

ALENDRONIC ACID, alendronate, 66376-36-1, (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid, Acido alendronico, Acide alendronique.

Is Alendronic Acid classified as hazardous?

16.7% of GHS notifications report no hazard classification (1 of 6).

What are the key physical properties of Alendronic Acid?

Melting Point: 235; Melting Point: 233-235 °C (decomposes); Dissociation Constants: 2.72 (at 25 °C).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.