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HCID 5245Erstellt: 27. Oktober 2026

Risedronate

RISEDRONATE · RISEDRONIC ACID · RESEDRONIC ACID · Risedronic Acid RS · Risedronate sodium≥97% · 3-(Acetic acid)Pyridine · Risedronic acid (Actonel) · RISEDRONIC ACID MONOHYDRATE

https://huagongshe.com/de/chemical/5245

Molekülstruktur von Risedronate

Identifikatoren & physikalische Daten

CAS No.105462-24-6
SummenformelC7H11NO7P2
Durchschnittliche Molmasse283,11 g/mol
Monoisotopische Masse283,00107495 g/mol
SMILESO=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O
InChIKeyIIDJRNMFWXDHID-UHFFFAOYSA-N
PubChem CID5245
ChEMBLCHEMBL923
ChEBICHEBI:8869
EC No.600-654-2
DTXSIDDTXSID2023563

Chemische & physikalische Eigenschaften

XLogP-3,1
Polarare Oberfläche (TPSA)148
H-Brücken-Donoren5
H-Brücken-Akzeptoren8
Frei drehbare Bindungen4
Schwere Atome17
Formalladung0
Komplexität339
ArzneimittelPharmaceuticals -> Listed in ZINC15
LogP (Verteilungskoeffizient)log Kow = -0.29 /Estimated/-3.6
LöslichkeitMiscible in water. /Estimated/1.04e+01 g/LAqueous Base (Slightly), Methanol (Very Slightly, Heated, Sonicated)
Human DrugsBreast FeedingLactationBisphosphonatesBone Density Conservation AgentsDiphosphonates
Schmelzpunkt252-262>232°C (subl.)
Dampfdruck2.1X10-11 mm Hg at 25 °C /Estimated/
Henry-KonstanteHenry's Law constant = 1.0X10-29 atm-cu m/mol at 25 °C /Estimated/
Physical DescriptionSolid
Dissociation ConstantspKa1 = 2.9 phosphoric acid moiety based on etidronic acidpKa2= 7 phosphoric acid moiety based on etidronic acid /Etidronic acid/
Other Experimental PropertiesHydroxyl radical reaction rate constant = 5.2X10-12 cu cm/molecule-sec at 25 °C /Estimated/Fine, white to off-white crystalline powderodorlessMW 305.09. Occurs as hemi-pentahydrate. Soluble in water. Essentially insoluble in common organic solvents. /Monosodium salt/Soluble in aqueous solutions. /Sodium/
Siedepunkt692.3±65.0 °C(Predicted)
Dichte1.870±0.06 g/cm3(Predicted)
LagerbedingungenHygroscopic, -20°C Freezer, Under inert atmosphere
AggregatzustandSolid
pKa (Säurekonstante)1.41±0.10(Predicted)
FarbeWhite to Off-White
StabilitätHygroscopic
InChIInChI=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)
InChIKeyIIDJRNMFWXDHID-UHFFFAOYSA-N
SMILESC(P(=O)(O)O)(P(=O)(O)O)(O)CC1=CC=CN=C1
CAS Datenbank105462-24-6(CAS DataBase Reference)
EPA chemische InformationenPhosphonic acid, P,P'-[1-hydroxy-2-(3-pyridinyl)ethylidene]bis- (105462-24-6)

Sicherheit & Vorschriften

GHS-EinstufungDangerH290 (50%): May be corrosive to metals [Warning Corrosive to Metals]P203, P234, P260, P261, P263, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische InformationenREACH registered substance: 1-hydroxy-2-(3-pyridinyl)ethylidene-bisphosphonic acid (EC: 600-654-2)
FDA-AnforderungenThe Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl risedronate sodium, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act. /Risedronate Sodium/
Hazard Classes and CategoriesMet. Corr. 1 (50%)
EntsorgungsverfahrenSRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations.
KörperbelastungRisedronate was detected in feeding pups exposed to lactating rats for a 24-hour period postdosing, indicating a small degree of lacteal transfer. /Risedronate/
WechselwirkungenAntacids or Mineral Supplements Containing Divalent Cations: Pharmacokinetic interaction (decrease risedronate absorption) when risedronate is used concomitantly with antacids or mineral supplements containing divalent cations (e.g. aluminum, calcium, magnesium). /Risedronate/Nonsteroidal Anti-inflammatory Agents /(SRP: NSAIDs)/: No evidence of increased adverse upper GI effects. /Risedronate/

Anwendungen & Verwendung

Verwenden

Risedronic Acid is a pyridinyl biphosphonate bone resorption inhibitor. It is a potentially useful biophosphonate for bone resorption analysis.

Histamine H2 Receptor Antagonists, Proton Pump Inhibitors: No evidence of increased adverse upper GI effects. /Risedronate/
UmweltverhaltenTERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 2,400(SRC), determined from a structure estimation method(2), indicates that anagrelide is expected to have slight mobility in soil(SRC). The pKa of the phosphoric acid moiety of risedronic acid is estimated to be about 2.8 based on the pKa of etidronic acid(3), an analogous compound containing a similar functional group. The estimated pKa indicates that this compound will primarily exist in the anionic form and anions do not volatilize from moist soil surfaces. Anagrelide is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 6.8X10-10 mm Hg(SRC), determined from a fragment constant method(4). Biodegradation data were not available(SRC, 2005).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 10(SRC), determined from a structure estimation method(2), indicates that risedronic acid is not expected to adsorb to suspended solids and sediment(SRC). The pKa of the phosphoric acid moiety of risedronic acid is estimated to be about 2.8 based on the pKa of etidronic acid(3), an analogous compound containing a similar functional group. The estimated pKa indicates that this compound will primarily exist as an anion in the environment and anions generally do not adsorb more strongly to organic carbon and clay than their neutral counterparts(4) and do not volatilize from water surfaces. Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that are expected to hydrolyze under environmental conditions. According to a classification scheme(5), an estimated BCF of 3.2(SRC), from an estimated log Kow of -0.29(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Biodegradation data were not available(SRC, 2005).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), risedronic acid, which has an estimated vapor pressure of 2.1X10-11 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely in the particulate phase in the ambient atmosphere. Particulate-phase risedronic acid may be removed from the air by wet and dry deposition(SRC). Risedronic acid does not contain chromophores that absorb light at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).
ExpositionspfadeRapid absorption (~1 hr) after an oral dose, occurs throughout the upper gastrointestinal tract
Milk ConcentrationsRisedronate was detected in feeding pups exposed to lactating rats for a 24-hour period postdosing, indicating a small degree of lacteal transfer. /Risedronate/
ToxizitätsübersichtThe action of risedronate on bone tissue is based partly on its affinity for hydroxyapatite, which is part of the mineral matrix of bone. Risedronate also targets farnesyl pyrophosphate (FPP) synthase. Nitrogen-containing bisphosphonates (such as pamidronate, alendronate, risedronate, ibandronate and zoledronate) appear to act as analogues of isoprenoid diphosphate lipids, thereby inhibiting FPP synthase, an enzyme in the mevalonate pathway. Inhibition of this enzyme in osteoclasts prevents the biosynthesis of isoprenoid lipids (FPP and GGPP) that are essential for the post-translational farnesylation and geranylgeranylation of small GTPase signalling proteins. This activity inhibits osteoclast activity and reduces bone resorption and turnover. In postmenopausal women, it reduces the elevated rate of bone turnover, leading to, on average, a net gain in bone mass.
Signs and SymptomsSide effects include abdominal pain, anxiety, back pain, belching, bladder irritation, bone disorders and pain, bronchitis, bursitis, cataracts, chest pain, colitis, constipation, depression, diarrhea, difficulty breathing, dizziness, dry eyes, eye infection, flu-like symptoms, gas, headache, high blood pressure, infection, insomnia, itching, joint disorders and pain, leg cramps, muscle pain, muscle weakness, nausea, neck pain, nerve pain, pain, pneumonia, rash, ringing in ears, sinus problems, sore throat, stomach bleeding, stuffy or runny nose, swelling, tendon problems, tumor, ulcers, urinary tract infection, vertigo, vision problems, and weakness.
Soil Adsorption/MobilityUsing a structure estimation method based on molecular connectivity indices(1), the Koc for risedronic acid can be estimated to be 10(SRC). According to a classification scheme(2), this estimated Koc value suggests that risedronic acid is expected to have very high mobility in soil. The pKa of the phosphoric acid moiety of risedronic acid is estimated to be about 2.8 based on the pKa of etidronic acid(3), indicating that this compound will primarily exist in the dissociated form in the environment and anions generally do not adsorb more strongly to organic carbon and clay than their neutral counterparts(4).
Human Toxicity Excerpts/SIGNS AND SYMPTOMS/ Decreases in serum calcium and phosphorus following substantial overdose may be expected in some patients. Signs and symptoms of hypocalcemia may also occur in some of these patients. /Risedronate/
Artificial Pollution SourcesRisedronic acid's production and use as a bone resorption inhibitor(1) may result in its release to the environment through various waste streams(SRC).
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Drug Induced Liver InjuryDrug-Induced Liver Injury Severity and Toxicity (DILIst)risedronateDILI NegativeOralDOI:10.1016/j.drudis.2019.09.022
Gefahrstoffdaten105462-24-6(Hazardous Substances Data)