您当前所在的位置:首页 > 产品中心 > 产品详细信息
1197-18-8 分子结构
点击图片或这里关闭

[1-hydroxy-1-phosphono-2-(pyridin-3-yl)ethyl]phosphonic acid

ChemBase编号:762
分子式:C7H11NO7P2
平均质量:283.112262
单一同位素质量:283.00107496
SMILES和InChIs

SMILES:
P(=O)(O)(O)C(P(=O)(O)O)(O)Cc1cccnc1
Canonical SMILES:
OP(=O)(C(P(=O)(O)O)(Cc1cccnc1)O)O
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

引用这个纪录

CBID:762 http://www.chembase.cn/molecule-762.html

Collapse All Expand All

名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
[1-hydroxy-1-phosphono-2-(pyridin-3-yl)ethyl]phosphonic acid
IUPAC传统名
risedronate
商标名
Actonel
Benet
Actonel 150
别名
Atelvia
Risedronic acid (Actonel)
Risedronate sodium
Risedronic acid
risedronate
NE-58095
Risedronate
1-Hydroxy-2-(3-Pyridinyl)Ethylidene Bis-Phosphonic Acid
CAS号
1197-18-8
105462-24-6
PubChem SID
160964225
46507526
PubChem CID
5245

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID 价格
Selleck Chemicals
S1874 external link 加入购物车 请登录

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 0.6802531  质子受体
质子供体 LogD (pH = 5.5) -6.3562384 
LogD (pH = 7.4) -6.7276864  Log P -3.3238657 
摩尔折射率 57.1247 cm3 极化性 22.581676 Å3
极化表面积 148.18 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P -0.75  LOG S -1.43 
溶解度 1.04e+01 g/l 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
疏水性(logP)
-3.6 expand 查看数据来源
保存条件
-20°C expand 查看数据来源
成盐信息
Free Base expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Selleck Chemicals Selleck Chemicals
DrugBank -  DB00884 external link
Item Information
Drug Groups approved; investigational
Description Risedronate is a bisphosphonate used to strengthen bone, treat or prevent osteoporosis, and treat Paget's disease of bone.
Indication For the treatment of Paget's disease of the bone (osteitis deformans), postmenopausal and glucocorticoid-induced osteoporosis
Pharmacology Risedronate is a pyridinyl bisphosphonate that inhibits osteoclast-mediated bone resorption and modulates bone metabolism and is indicated for the treatment and prevention of osteoporosis in postmenopausal women.
Toxicity Side 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.
Affected Organisms
Humans and other mammals
Biotransformation No evidence found for metabolization of risedronate in humans or mammals
Absorption Rapid absorption (~1 hr) after an oral dose, occurs throughout the upper gastrointestinal tract
Half Life 1.5 hours
Protein Binding ~24%
Elimination Risedronate is excreted unchanged primarily via the kidney. Insignificant amounts (<0.1% of intravenous dose) of drug are excreted in the bile in rats.
Distribution * 13.8 L/kg
Clearance * 122 mL/min
* 73 mL/min [osteopenic postmenopausal women]
External Links
Wikipedia
RxList
PDRhealth
Drugs.com
DrugBank -  DB02782 external link
Drug information: experimental
Selleck Chemicals -  S1874 external link
Research Area: Metabolic Disease
Biological Activity:

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    暂无数据
正在搜索,请耐心等待...(如果遇到网页错误或者长时间没有结果,请刷新页面[F5])

专利

专利

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

互联网资源

互联网资源

百度图标百度 google iconGoogle