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/ko/chemical/5245

식별자 및 물리적 특성

CAS No.	105462-24-6
분자식	C7H11NO7P2
평균 분자량	283.11 g/mol
단동위원소 질량	283.00107495 g/mol
SMILES	O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O
InChIKey	IIDJRNMFWXDHID-UHFFFAOYSA-N
PubChem CID	5245
ChEMBL	CHEMBL923
ChEBI	CHEBI:8869
EC No.	600-654-2
DTXSID	DTXSID2023563

화학 및 물리적 성질

XLogP	-3.1
극성 표면적	148
수소 결합 공여자 수	5
수소 결합 수용자 수	8
회전 가능 결합 수	4
무거운 원자 수	17
형식 전하	0
복잡도	339
의약품	Pharmaceuticals -> Listed in ZINC15
LogP(분배 계수)	log Kow = -0.29 /Estimated/-3.6
용해도	Miscible in water. /Estimated/1.04e+01 g/L알칼리성 용액 (약간 용해됨), 메탄올(매우 소량, 가열, 초음파 처리)
Human Drugs	Breast FeedingLactationBisphosphonatesBone Density Conservation AgentsDiphosphonates
녹는점	252-262>232°C (subl.)
증기압	2.1X10-11 mm Hg at 25 °C /Estimated/
헨리 상수	Henry's Law constant = 1.0X10-29 atm-cu m/mol at 25 °C /Estimated/
Physical Description	Solid
Dissociation Constants	pKa1 = 2.9 phosphoric acid moiety based on etidronic acidpKa2= 7 phosphoric acid moiety based on etidronic acid /Etidronic acid/
Other Experimental Properties	Hydroxyl 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/
끓는 점	692.3±65.0 °C(Predicted)
밀도	1.870±0.06 g/cm3(Predicted)
저장 조건	Hygroscopic, -20°C Freezer, Under inert atmosphere
물리적 상태	고체
pKa(산도 계수)	1.41±0.10(Predicted)
색상	흰색에서 황백색까지
안정성	흡습성
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)
InChIKey	IIDJRNMFWXDHID-UHFFFAOYSA-N
SMILES	C(P(=O)(O)O)(P(=O)(O)O)(O)CC1=CC=CN=C1
EPA	Phosphonic acid, P,P'-[1-hydroxy-2-(3-pyridinyl)ethylidene]bis- (105462-24-6)

안전 및 규제

GHS 분류	DangerH290 (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.
규제 정보	REACH registered substance: 1-hydroxy-2-(3-pyridinyl)ethylidene-bisphosphonic acid (EC: 600-654-2)
FDA 요건	The 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 Categories	Met. Corr. 1 (50%)
처리 방법	SRP: 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.
체내 부담	Risedronate was detected in feeding pups exposed to lactating rats for a 24-hour period postdosing, indicating a small degree of lacteal transfer. /Risedronate/
상호 작용	Antacids 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/Histamine H2 Receptor Antagonists, Proton Pump Inhibitors: No evidence of increased adverse upper GI effects. /Risedronate/

용도

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