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94-16-6 molecular structure
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2-[(4-aminophenyl)formamido]acetic acid

ChemBase ID: 229
Molecular Formular: C9H10N2O3
Molecular Mass: 194.1873
Monoisotopic Mass: 194.06914219
SMILES and 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

Cite this record

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

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(4-aminophenyl)formamido]acetic acid
IUPAC Traditional name
aminohippurate
Synonyms
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
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
CAS Number
94-16-6
61-78-9
EC Number
200-518-9
MDL Number
MFCD00007890
Beilstein Number
1213676
Merck Index
14442
PubChem SID
24890544
46507106
160963692
PubChem CID
2148
CHEBI ID
104011
ATC CODE
V04CH30
CHEMBL
463
Chemspider ID
2063
DrugBank ID
DB00345
KEGG ID
D06890
Unique Ingredient Identifier
Y79XT83BJ9
Wikipedia Title
Aminohippuric_acid

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 2.7016902  H Acceptors
H Donor LogD (pH = 5.5) -2.096073 
LogD (pH = 7.4) -3.5996192  Log P -1.0117944 
Molar Refractivity 50.8181 cm3 Polarizability 18.569841 Å3
Polar Surface Area 92.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P 0.0  LOG S -1.79 
Solubility (Water) 3.13e+00 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
Slightly soluble expand Show data source
Melting Point
198-199°C (dec.) expand Show data source
198-202 °C expand Show data source
199-200 °C (dec.)(lit.) expand Show data source
200-202 °C expand Show data source
ca 200°C dec. expand Show data source
Hydrophobicity(logP)
-2.2 expand Show data source
Storage Condition
0°C, Protect from light expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
room temp expand Show data source
Target
Others expand Show data source
Purity
≥98.0% (T) expand Show data source
≥99% expand Show data source
≥99.0% (T) expand Show data source
95+% expand Show data source
97% expand Show data source
Grade
puriss. expand Show data source
purum expand Show data source
Salt Data
Free Base expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
NH2C6H4C(O)NHCH2COOH expand Show data source
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

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
Packaging
25 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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