Mebendazole
- Iupac Name：methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate
- CAS No.: 31431-39-7
- Molecular Weight：295.29272
- Modify Date.: 2022-10-30 19:50
- Introduction: White to slightly yellow powder. Pleasant taste. Practically water insoluble.
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1. Names and Identifiers
- 1.1 Name
- Mebendazole
- 1.2 Synonyms
(5-Benzoyl-1H-benzimidazol-2-yl)carbamicacidmethylester (5-benzoyl-1h-benzimidazol-2-yl)-carbamicacidmethylester (5-benzoyl-1h-benzimidazol-2-yl)-carbamicacimethylester [5-(phénylcarbonyl)-1H-benzimidazol-2-yl]carbamate de méthyle 5-benzoyl-1H-benzimidazol-2-yl carbamic acid methyl ester 5-benzoyl-2-benzimidazolecarbamic acid methyl ester 5-benzoyl-2-benzimidazolecarbamicacimethylester bantenol besantin Carbamic acid, N-(5-benzoyl-1H-benzimidazol-2-yl)-, methyl ester EINECS 250-635-4 lomper mbdz mebenvet Mebex Methyl (5-benzoyl-1H-benzimidazol-2-yl)carbamate Methyl (5-benzoyl-1H-benzo[d]imidazol-2-yl)carbamate Methyl [5-(Benzoyl)benzimidazol-2-yl]carbamate Methyl 5-benzoyl benzimidazole-2-carbamate Methyl-[5-(phenylcarbonyl)-1H-benzimidazol-2-yl]carbamat MFCD00057872 noverme telmin Vermox
- 1.3 CAS No.
- 31431-39-7
- 1.4 CID
- 4030
- 1.5 EINECS(EC#)
- 250-635-4
- 1.6 Molecular Formula
- C16H13N3O3 (isomer)
- 1.7 Inchi
- InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)
- 1.8 InChkey
- OPXLLQIJSORQAM-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3
- 1.10 Isomers Smiles
- COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3
2. Properties
- 2.1 Density
- 1.388
- 2.1 Melting point
- 288.5℃
- 2.1 Boiling point
- 436.98°C (rough estimate)
- 2.1 Refractive index
- 1.702
- 2.1 Precise Quality
- 295.09600
- 2.1 PSA
- 84.08000
- 2.1 logP
- 3.04520
- 2.1 Solubility
- 35.4mg/L(25 ºC)
- 2.2 Appearance
- white to yellowish powder
- 2.3 Chemical Properties
- White Amorphous Powder
- 2.4 Color/Form
- Off-white amorphous powder
Crystals from acetic acid and methanol
- 2.5 pKa
- pKa 3.43/9.93(H2O,t =25,I=0.025) (Uncertain)
- 2.6 Water Solubility
- Insoluble
- 2.7 StorageTemp
- 0-6°C
3. Use and Manufacturing
- 3.1 Definition
- ChEBI: A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5.
- 3.2 General Description
- White to slightly yellow powder. Pleasant taste. Practically water insoluble.
- 3.3 Usage
- Anthelmintic (Nematodes)
4. Safety and Handling
- 4.1 Symbol
- GHS07;
- 4.1 Hazard Codes
- Xn
- 4.1 Signal Word
- Warning
- 4.1 Risk Statements
- R22
- 4.1 Safety Statements
- S36
- 4.1 Exposure Standards and Regulations
- The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl mebendazole, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.
Oral dosage form new animal drugs. Mebendazole oral. (1) Horses: Indications for use: It is used in horses for treatment of infections caused by large roundworms (Parascaris equorum); large strongyles (Strongylus edentatus, S. equinus, S. vulgaris); small strongyles; and mature and immature (4th larval stage pinworms (Oxyuris equi)). ... (2) Dogs. Indications for use: The drug is used for treatment of infections of roundworms (Toxocara canis), hookworms (Ancylostoma caninum, Uncinaria stenocephala), whipworms (Trichuris vulpis), and tapeworms (Taenia pisiformis).
Oral dosage form new animal drugs. Mebendazole and trichlorfon powder. Each gram contains 83.3 mg of mebendazole and 375.0 mg of trichlorofon. ... (1) Horses... Indications for use: It is used in horses for the treatment of infections of bots (Gastrophilus intestinalis and G. nasalis), large roundworms (Parascaris equorum), large strongyles (Strongylus edentatus, S. equinus, S. vulgaris), small strongyles, and pinworms (Oxyuris equi.)
Oral dosage form new animal drugs. Mebendazole and trichlorfon paste. Each gram of paste contains 100 mg of mebendazole and 454 mg of trichlorfon. ... It is used in horses for treatment of infections of bots (Gastrophilus intestinalis and G. nasalis), large roundworms (Parascaris equorum), large strongyles (Strongylus edentatus, S. equinus, S. vulgaris), small strongyles, and pinworms (Oxyuris equi).
The Generic Animal Drug and Patent Restoration act requires that each sponsor of an approved animal drug must submit to the FDA certain information regarding patents held for the animal drug or its method of use. The Act requires that this information, as well as a list of all animal drug products approved for safety and effectiveness, be made available to the public. Mebendazole is included on this list.
- 4.2 Octanol/Water Partition Coefficient
- log Kow = 2.83
- 4.3 Fire Hazard
- Flash point data for Mebendazole are not available; however, Mebendazole is probably combustible.
- 4.4 Hazard Declaration
- H302
- 4.4 DisposalMethods
- SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
- 4.5 RIDADR
- UN 2811
- 4.5 Safety Profile
- Moderately toxic by ingestion and intraperitoneal routes. Human mutation data reported. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx. See also CARBAMATES.
- 4.6 Caution Statement
- P301 + P312 + P330
- 4.6 Formulations/Preparations
- Oral: Tablets, chewable: 100 mg Mebendazole Tablets, (Teva); Vermox, (McNeil).
- 4.7 WGK Germany
- 3
- 4.7 RTECS
- EY8600000
- 4.7 Report
-
EPA Genetic Toxicology Program.
- 4.8 Safety
-
Moderately toxic by ingestion and intraperitoneal routes. Human mutation data reported. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
Safety Information of Mebendazole (CAS NO.31431-39-7):
Hazard Codes: Xn
Risk Statements:
22: ?Harmful if swallowed?
Safety Statements:
36: ?Wear suitable protective clothing
RIDADR: UN 2811
WGK Germany: 3
RTECS: EY8600000
- 4.9 Specification
-
?Mebendazole (CAS NO.31431-39-7), its Synonyms are (5-Benzoyl-1H-benzimidazol-2-yl)-carbamic acid methyl ester ; 2-Benzimidazolecarbamic acid, 5-benzoyl-, methyl ester ; 5-Benzoyl-2-benzimidazolecarbamic acid methyl ester ; Bantenol ; Besantin ; Mebendazolum ; Methyl 5-benzoyl-2-benzimidazolecarbamate ; Methyl 5-benzoyl-2-benzimidazolylcarbamate ; Methyl N-(5-benzoyl-2-benzimidazolyl)carbamate ; N-(Benzoyl-5, benzimidazolyl)-2, carbamate de methyle ; N-2 (5-Benzoyl-benzimidazole) carbamate de methyle .
- 4.10 Toxicity
-
| cat |
LD50 |
oral |
> 640mg/kg (640mg/kg) |
? |
Toxicology and Applied Pharmacology. Vol. 24, Pg. 371, 1973. |
| chicken |
LD50 |
unreported |
> 40mg/kg (40mg/kg) |
? |
United States Patent Document. Vol. #3657267, |
| dog |
LD |
intramuscular |
> 2gm/kg (2000mg/kg) |
? |
Drugs in Japan Vol. -, Pg. 1207, 1990. |
| dog |
LD50 |
oral |
1280mg/kg (1280mg/kg) |
? |
Drugs in Japan Vol. -, Pg. 1207, 1990. |
| domestic animals - goat/sheep |
LD50 |
oral |
> 80mg/kg (80mg/kg) |
? |
United States Patent Document. Vol. #3657267, |
| guinea pig |
LD50 |
oral |
> 1280mg/kg (1280mg/kg) |
? |
Toxicology and Applied Pharmacology. Vol. 24, Pg. 371, 1973. |
| mouse |
LD50 |
intraperitoneal |
712mg/kg (712mg/kg) |
? |
Meditsinskaya Parazitologiya i Parazitarnye Bolezni. Medical Parasitology and Parasitic Diseases. Vol. 48(4), Pg. 29, 1979. |
| mouse |
LD50 |
oral |
620mg/kg (620mg/kg) |
? |
Meditsinskaya Parazitologiya i Parazitarnye Bolezni. Medical Parasitology and Parasitic Diseases. Vol. 47(6), Pg. 48, 1978. |
| rabbit |
LD50 |
oral |
> 640mg/kg (640mg/kg) |
? |
Toxicology and Applied Pharmacology. Vol. 24, Pg. 371, 1973. |
| rat |
LD50 |
intramuscular |
350mg/kg (350mg/kg) |
? |
Drugs in Japan Vol. -, Pg. 1207, 1990. |
| rat |
LD50 |
oral |
714mg/kg (714mg/kg) |
? |
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988. |
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Acute toxicity - Oral, Category 4
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H302 Harmful if swallowed |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. |
| Response | P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. |
| Storage | none |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
7. Synthesis Route
31431-39-7Total: 2 Synthesis Route
9. Computational chemical data
- Molecular Weight: 295.29272g/mol
- Molecular Formula: C16H13N3O3
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 295.09569129
- Monoisotopic Mass: 295.09569129
- Complexity: 423
- Rotatable Bond Count: 4
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 84.1
- Heavy Atom Count: 22
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccB7MAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgAQAAAADAyBngIz2LbJlACoA6RyfACCgC2lEqAJmSEwdNmIaLLAnZGUIQhokQJIyaccicCeCAAAQAAAACAQAACAAAAAQAAAAAAAAA==
10. Question & Answer
-
Mebendazole (MBZ) came into use in 1971, after it was developed by Janssen Pharmaceutica in Belgium. It is on the World Health Organization's List of Essential Medicines, the most effective and safe medicines needed in a health system and mebendazole is available as a generic medication [1]. Me...
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