 Home > Encyclopedia > Metronidazole benzoate

Metronidazole benzoate

Metronidazole benzoate structure

CAS No:
13182-89-3
Formula:
C13H13N3O4
Chemical Name:
Metronidazole benzoate
Synonyms:
1H-Imidazole-1-ethanol,2-methyl-5-nitro-,1-benzoate;Imidazole-1-ethanol,2-methyl-5-nitro-,benzoate (ester);1H-Imidazole-1-ethanol,2-methyl-5-nitro-,benzoate (ester);Imidazole-1-ethanol,2-methyl-5-nitro-,benzoate;Metronidazole benzoate;Benzoylmetronidazole;Klion suspension;2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate;2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethylbenzoate
Categories:
Active Pharmaceutical Ingredients > Antiparasitic Drugs

Description

White or slightly yellowish, crystalline powder or flakes.ChEBI: A benzoate ester resulting from the formal condensation of benzoic acid with the hydroxy group of metronidazole.

Metronidazole benzoate is a benzoate ester resulting from the formal condensation of benzoic acid with the hydroxy group of metronidazole. It has a role as an antibacterial drug, an antimicrobial agent, an antiparasitic agent, an antitrichomonal drug and a prodrug. It derives from a metronidazole and a benzoic acid.|Metronidazole Benzoate is the benzoate ester of metronidazole, a synthetic nitroimidazole derivative with antiprotozoal and antibacterial activities.

Metronidazole benzoate Basic Attributes

Molecular Weight：

275.26

Exact Mass：

275.26

EC Number：

236-131-7

UNII：

A355C835XC

DSSTox ID：

DTXSID60157221

NCI Thesaurus Code：

C87387

HScode：

2933290000

Characteristics

PSA：

89.9

XLogP3：

Density：

1.31±0.1 g/cm3(Predicted)

Melting Point：

100 °C

Boiling Point：

487.7±25.0 °C(Predicted)

Flash Point：

150.5±17.2 °C

Refractive Index：

1.627

Water Solubility：

Practically insoluble in water, freely soluble in methylene chloride, soluble in acetone, slightly soluble in alcohol.

Vapor Pressure：

2.88E-14mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

Precautionary statement(s)：

P201, P202, P260, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P308+P313, P312, P314, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (42.86%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P308+P313, P312, P314, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 59 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

benzoylmetronidazole

Metronidazole benzoate Use and Manufacturing

Methods of Manufacturing

General procedure: To a mixture of respected aryl carboxylic acid (3o-3x, 10 mmol) andMOTS (3.24 g, 10 mmol) in DMF (10 mL) potassium carbonate wasadded (1.38 g, 10 mmol) and heated at 80 C. After 3 days, the reactionmixture was poured into the ice water and the formed insoluble matterwas recovered by filtration. The insoluble matter was dissolved in hotethanol, whereupon the mixture was allowed to cool and crystalsformed were collected and dried in air. 4.2.3.1. 4.2.3.1.2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate(4n). Yellow crystals, yield: 63%, m.p. 101-103 C. IR (KBr, vmax/cm-1): 3017, 2982, 1717, 1598, 1523, 1365, 1187. 1H NMR (DMSO-d6, 300 MHz) deltappm: 8.06 (s, 1H, ArH), 7.87-7.51 (m, 5H, ArH), 4.75 (t, 3 J=6 Hz, 2H, OCH2), 4.65(t, 3 J=6 Hz, 2H, NCH2), 2.48 (s, 3H, CH3). For C13H13N3O4, calcd.: C, 56.72; H, 4.76; N, 15.27; Found: C, 57.06; H, 4.61; N, 15.56.

Uses

Anti-infective.Antiparasitic drugs. Amoeba, trichomoniasis and anaerobic infections.

Computed Properties

Molecular Weight:275.26
XLogP3:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:275.09060590
Monoisotopic Mass:275.09060590
Topological Polar Surface Area:89.9
Heavy Atom Count:20
Complexity:352
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Drug Function and Efficacy

It has a strong antibacterial effect on most anaerobic bacteria, and the antibacterial spectrum includes Bacteroides fragilis and other Bacteroides, Fusobacterium, Clostridium perfringens, Eubacterium, Veillonella, Peptococcus and Peptostreptococcus, etc. In addition, it also has a strong killing effect on amoeba and Trichomonas. The bactericidal mechanism is that nitro is reduced to a cytotoxin, thereby acting on the DNA metabolism process of bacteria and promoting cell death; the anti-amoeba mechanism is to inhibit its redox reaction, causing the nitrogen chain of the protozoa to break.

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

Metronidazole benzoate dry suspension
Ingredients	The main ingredient of this product is: metronidazole benzoate.
Indication	Not yet clear.
Specifications	1g: Metronidazole benzoate 0.64g
Manufacturer	Tianjin Hanrui Pharmaceutical Co., Ltd.

Metronidazole benzoate
Manufacturer	Hebei Guangxiang Pharmaceutical Co., Ltd.

Metronidazole benzoate dispersible tablets
Ingredients	The main ingredient is metronidazole benzoate.
Indication	1. This product can enhance the anticoagulant effect of warfarin and other drugs. 2. Oxytetracycline can interfere with the effect of this product in eliminating vaginal Trichomonas.
Specifications	0.32g
Manufacturer	Jiangsu Morning Brand Pharmaceutical Group Co., Ltd.

See More Related Drugs

Registered Holders

Shandong Guomao Enterprise Management Co., Ltd.

China
Active
Hubei Hongyuan Pharmaceutical Technology Co., Ltd.

China
Active
Hebei Guangxiang Pharmaceutical Co., Ltd.

China
Active

See More Registered Holders

Recommended Suppliers of Metronidazole benzoate

hubei bocare chemical Co.ltd Contact Supplier

CN
1 YR

Business licensed

Trader Supplier of pregabalin,Tirzepatide,Retatrutide,Food Additives,semaglutide,Cosmetics material,Food additive,Chemical intermediate,Active pharmaceutical ingredients

Hot Selling | Benzoylmetronildazole | 13182-89-3 | Factory Supply | Raw Materials | High Qulity | Wholesale price

CAS No.: 13182-89-3

Grade: USP / EP / BP / JP Grade

Content: 99%

Inquiry
SHANHAI YUKING+POVIDONE Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of EXCIPIENTS,POVIDONE,AMINO ACIDS,API,VITAMINS

Metronidazole benzoate BP

CAS No.: 13182-89-3

Grade: Pharmaceutical Grade

Content: 99%

Inquiry
Wuhan Dienle Technology Co., Ltd Contact Supplier

CN
1 YR

Business licensed

Trader Supplier of Pharmaceutical intermediate/API， and fragrances API

Benzoylmetronildazole CAS:13182-89-3

CAS No.: 13182-89-3

Grade: Pharmaceutical Grade

Content: 99%

Inquiry
Shandong Airuike Chemical Co., Ltd. Contact Supplier

CN
3 YRS

Business licensed

Trader Supplier of api,Intermediates,Organic Chemistry,Inorganic Chemistry,Daily Chemicals,Cosmetic Raw Materals,CATALYST AND AUXILIARY,FLAVORS AND FRAGRANCES,Chemical Pesticides,ADDITIVE

Metronidazole benzoate 13182-89-3

CAS No.: 13182-89-3

Grade: Pharmaceutical Grade

Content: 99%

Inquiry
Nanjing chemedicine Biotech Co.,ltd Contact Supplier

CN
8 YRS

Business licensed Certified factory

Manufactory Supplier of medical intermediate

Metronidazole Benzoate 98.5%

CAS No.: 13182-89-3

Grade: Pharmaceutical Grade

Content: 98.5%

Inquiry