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Hippuric acid

Hippuric acid structure

CAS No:
495-69-2
Formula:
C9H9NO3
Chemical Name:
Hippuric acid
Synonyms:
Glycine,N-benzoyl-;Hippuric acid;N-Benzoylglycine;Benzoylglycine;Acetic acid,(benzoylamino)-;Benzamidoacetic acid;Phenylcarbonylaminoacetic acid;2-Benzamidoacetic acid;NSC 9982;2-(Benzoylamino)acetic acid;Benzoyl Glycocoll;N-(Phenylcarbonyl)glycine;2-(Phenylformamido)acetic acid;21251-67-2;66407-11-2;140480-84-8;892119-18-5;892119-19-6;1361329-72-7
Categories:
Cosmetic Ingredient > Hair Conditioning

Description

Hippuric Acid, an acyl glycine produced by the conjugation of benzoic acid and glycine, is a normal component in urine as a metabolite of aromatic compounds from food.

Solid

N-benzoylglycine is an N-acylglycine in which the acyl group is specified as benzoyl. It has a role as a uremic toxin and a human blood serum metabolite. It is a conjugate acid of a N-benzoylglycinate.|Hippuric Acid is an acyl glycine produced by the conjugation of benzoic acid and glycine, found as a normal component in urine as a metabolite of aromatic compounds from food. Increased urine hippuric acid content may have antibacterial effects.

Hippuric acid Basic Attributes

Molecular Weight：

179.17

Exact Mass：

179.17

BRN：

1073987

EC Number：

207-806-3

UNII：

TE0865N2ET

NSC Number：

9982

DSSTox ID：

DTXSID9046073

NCI Thesaurus Code：

C87277

HScode：

2924299090

Characteristics

PSA：

66.4

XLogP3：

0.3

Appearance：

White to almost white Crystalline Powder

Density：

1.371 g/cm³

Melting Point：

191.5 °C

Boiling Point：

464.1°C at 760 mmHg

Flash Point：

234.5±24.0 °C

Refractive Index：

1.568

Water Solubility：

soluble in water.

Storage Conditions：

Store at RT.

Collision Cross Section：

139.72 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|146.82 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|154.06 Å² [M+Na]+ [CCS Type: DT, Method: stepped-field]|148.23 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|149.6 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|142 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|142.4 Å² [M-H]-

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-37/38-41-36/37/38

safety instructions：

26-39-36/37-22

RTECS Number：

MR8150000

Marks：

Xn,Xi

Stability/Shelf Life：

Stable. Incompatible with oxidizing agents.

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

GHS Classification：

|Danger|H302 (98.11%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 56 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

ammonium hippurate

Hippuric acid Use and Manufacturing

Methods of Manufacturing

It is obtained by reacting benzoyl chloride and aminoacetic acid in sodium hydroxide solution to obtain sodium benzoylaminoacetate, which is then acidified with hydrochloric acid. Dissolve glycine in sodium hydroxide solution, and simultaneously drop benzoyl chloride and sodium hydroxide solution below 30°C to make the reaction solution always alkaline. After the addition is complete, stir for 30 min. Then add hydrochloric acid to acidify to pH 2, filter the crude product and recrystallize with water to obtain hippuric acid. Raw material consumption quota: glycine (90%) 610kg/t, benzoyl chloride (60%) 1520kg/t, liquid alkali (30%) 1960kg/t, hydrochloric acid (30%) 900kg/t.

Uses

N-Benzoylglycine also known as Hippuric Acid is the glycine conjugate of benzoic acid commonly found in ruminant urine. Hippuric acid is synthesized in the liver and its production is greatly increased following consumption of benzoic acid. In itself it does not have a direct biological function, however p-hydroxy-hippurica acid can be used as an inhibitor of Ca2+ ATPase.

Manufacturing Info：

Glycine, N-benzoyl-: ACTIVE

Use Classification：

Cosmetics -> Hair conditioning

Computed Properties

Molecular Weight:179.17
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:179.058243149
Monoisotopic Mass:179.058243149
Topological Polar Surface Area:66.4
Heavy Atom Count:13
Complexity:197
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzyl alcohol

Formaldehyde

Glycine

Benzoyl chloride

Downstream Products

Benzoic acid

Benzene

Ammonia

Drug Function and Efficacy

This product combined with chemotherapy has a certain effect on non-small cell lung cancer and breast cancer, and also has a certain effect on improving the quality of life of patients. There is a trend of improving the median survival time and survival rate of patients, but it is not significant and needs further research to confirm.

This ingredient has been used in drugs with the following functions (note: it does not mean that the ingredient itself has the following health functions)

Related Drugs

Uropolyacitide injection
Ingredients	This product is a sterile aqueous solution extracted and purified from human urine, containing a variety of organic acids and polypeptides with a molecular weight less than 6000D. The main ingredients are hippuric acid, phenylacetylglutamine and polypeptides.
Indication	Not yet clear.
Specifications	100 ml

Red Dragon Pain Relief Tablets
Ingredients	Dragon bone, Sichuan chrysanthemum, mother of pearl, Indian swertia, golden waist grass, wave-shaped melon seeds, safflower, bear bile powder, iron hammer, Tanggut Aconitum, Quanhua, horse urine
Indication	Drug interactions may occur if used with other drugs. Please consult your doctor or pharmacist for details.
Specifications	Each tablet weighs 0.3g
Manufacturer	Arura Tibetan MEDICINE Co., Ltd.

Uropolyacitide injection
Ingredients	This product is a sterile aqueous solution extracted and purified from human urine, containing a variety of organic acids and polypeptides with a molecular weight less than 6000D. The main ingredients are hippuric acid, phenylacetylglutamine and polypeptides.
Indication	Not yet clear.
Specifications	100 ml
Manufacturer	Tailing Biopharmaceutical Jiangsu Co., Ltd.

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Guide of Hippuric acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Downstream Products
Drug Function and Efficacy
Related Drugs
Recommended Suppliers
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Hippuric acid

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