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94-16-6 分子结构
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2-[(4-aminophenyl)formamido]acetic acid

ChemBase编号:229
分子式:C9H10N2O3
平均质量:194.1873
单一同位素质量:194.06914219
SMILES和InChIs

SMILES:
O=C(NCC(=O)O)c1ccc(N)cc1
Canonical SMILES:
O=C(c1ccc(cc1)N)NCC(=O)O
InChI:
InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13)
InChIKey:
HSMNQINEKMPTIC-UHFFFAOYSA-N

引用这个纪录

CBID:229 http://www.chembase.cn/molecule-229.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
2-[(4-aminophenyl)formamido]acetic acid
IUPAC传统名
aminohippurate
别名
对氨基马尿酸
4-氨基马尿酸
4-氨基马尿酸
N-(4-氨基苯甲酰基)甘氨酸
对氨基马尿酸
p-Aminohippuric acid
4-Aminohippuric acid
PAHH
AminohippuratH
4-Aminohippuric acidH
N-(4-Aminobenzoyl)glycinH
Aminohippuric acid
2-(4-aminobenzamido)acetic acid
N-[p-Aminobenzoyl]glycine
4-Aminohippuric acid
N-(4-Aminobenzoyl)glycine
p-AMINOHIPPURIC ACID
Aminohippurate Sodium
Aminohippuric acid
Aminohippuric acid Sodium salt
Sodium p-aminohippurate
Sodium para-Aminohippurate
para-Aminohippurate
PAH
Aminohippurate
p-Aminohippuric acid
4-Aminohippuric Acid
CAS号
94-16-6
61-78-9
EC号
200-518-9
MDL号
MFCD00007890
Beilstein号
1213676
默克索引号
14442
PubChem SID
24890544
46507106
160963692
PubChem CID
2148
CHEBI ID
104011
ATC码
V04CH30
CHEMBL
463
Chemspider ID
2063
DrugBank ID
DB00345
KEGG ID
D06890
美国药典/FDA物质标识码
Y79XT83BJ9
维基百科标题
Aminohippuric_acid

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 2.7016902  质子受体
质子供体 LogD (pH = 5.5) -2.096073 
LogD (pH = 7.4) -3.5996192  Log P -1.0117944 
摩尔折射率 50.8181 cm3 极化性 18.569841 Å3
极化表面积 92.42 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 0.0  LOG S -1.79 
溶解度 3.13e+00 g/l 

分子性质

分子性质

理化性质 安全信息 药理学性质 产品相关信息 生物活性(PubChem)
溶解度
Slightly soluble expand 查看数据来源
熔点
198-199°C (dec.) expand 查看数据来源
198-202 °C expand 查看数据来源
199-200 °C (dec.)(lit.) expand 查看数据来源
200-202 °C expand 查看数据来源
ca 200°C dec. expand 查看数据来源
疏水性(logP)
-2.2 expand 查看数据来源
保存条件
0°C, Protect from light expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
TSCA收录
expand 查看数据来源
个人保护装置
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand 查看数据来源
保存温度
room temp expand 查看数据来源
作用靶点
Others expand 查看数据来源
纯度
≥98.0% (T) expand 查看数据来源
≥99% expand 查看数据来源
≥99.0% (T) expand 查看数据来源
95+% expand 查看数据来源
97% expand 查看数据来源
级别
puriss. expand 查看数据来源
purum expand 查看数据来源
成盐信息
Free Base expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
线性分子式
NH2C6H4C(O)NHCH2COOH expand 查看数据来源
分类
Derivatives & analogs of Natural Compounds expand 查看数据来源

详细说明

详细说明

MP Biomedicals MP Biomedicals DrugBank DrugBank Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals -  02102570 external link
Crystalline
Useful in kidney function test.
DrugBank -  DB00345 external link
Item Information
Drug Groups approved
Description The glycine amide of 4-aminobenzoic acid. Its sodium salt is used as a diagnostic aid to measure effective renal plasma flow (ERPF) and excretory capacity. [PubChem]
Indication Used to measure effective renal plasma flow (ERPF) and to determine the functional capacity of the tubular excretory mechanism.
Pharmacology Aminohippurate (p-aminohippuric acid, PAH, PAHA) is the glycine amide of p-aminobenzoic acid. It is filtered by the glomeruli and is actively secreted by the proximal tubules. At low plasma concentrations (1.0 to 2.0 mg/100 mL), an average of 90 percent of aminohippurate is cleared by the kidneys from the renal blood stream in a single circulation. It is ideally suited for measurement of ERPF since it has a high clearance, is essentially nontoxic at the plasma concentrations reached with recommended doses, and its analytical determination is relatively simple and accurate. Aminohippurate is also used to measure the functional capacity of the renal tubular secretory mechanism or transport maximum (TmPAH). This is accomplished by elevating the plasma concentration to levels (40-60 mg/100 mL) sufficient to saturate the maximal capacity of the tubular cells to secrete aminohippurate. Inulin clearance is generally measured during TmPAH determinations since glomerular filtration rate (GFR) must be known before calculations of secretory Tm measurements can be done.
Toxicity The intravenous LD50 in female mice is 7.22 g/kg.
Affected Organisms
Humans and other mammals
External Links
Wikipedia
RxList
Sigma Aldrich -  A1422 external link
包装
10, 25, 100, 250 g in poly bottle
Sigma Aldrich -  122955 external link
包装
25 g in poly bottle

参考文献

参考文献

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专利

专利

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