Introduction：Basic information about CAS 3166-62-9|Methylbenactyzium Bromide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Methylbenactyzium Bromide |
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| CAS Number | 3166-62-9 | Molecular Weight | 422.356 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C21H28BrNO3 | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | diethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-methylazanium,bromide |
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| Synonym | More Synonyms |
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Methylbenactyzium Bromide BiologicalActivity
| Description | Methylbenactyzium Bromide is a muscarinic acetylcholine receptor (mAChR) inhibitor. |
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| Related Catalog | Signaling Pathways >>GPCR/G Protein >>mAChRSignaling Pathways >>Neuronal Signaling >>mAChRResearch Areas >>Inflammation/Immunology |
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| Target | mAChR[1] |
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| In Vitro | Methylbenactyzium Bromide is a muscarinic acetylcholine receptor (mAChR) inhibitor[1]. Methylbenactyzium bromide has been used as a spasmolytic for the treatment of gastrointestinal ulcer[2]. |
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| References | [1]. Bhattacharjee AK, et al. Discovery of subtype selective muscarinic receptor antagonists as alternatives to atropine using in silico pharmacophore modeling and virtual screening methods. Bioorg Med Chem. 2013 May 1;21(9):2651-62. [2]. Nishikawa M, et al. Analysis of methylbenactyzium bromide in human urine by thin-layer chromatography and pyrolysis gas chromatography. Forensic Sci Int. 1991 Mar;49(2):197-203. |
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Chemical & Physical Properties
| Molecular Formula | C21H28BrNO3 |
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| Molecular Weight | 422.356 |
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| Exact Mass | 421.125244 |
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| PSA | 46.53000 |
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| InChIKey | DKMVJQCQTCLYIF-UHFFFAOYSA-M |
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| SMILES | CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.[Br-] |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- BP7524000
- CHEMICAL NAME :
- Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, benzilate (ester)
- CAS REGISTRY NUMBER :
- 3166-62-9
- LAST UPDATED :
- 199007
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C21-H28-N-O3.Br
- MOLECULAR WEIGHT :
- 422.41
- WISWESSER LINE NOTATION :
- 2K2&1&2OVXQR&R &E
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 780 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,358,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 52 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,358,1982
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Safety Information
Customs
| HS Code | 2923900090 |
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| Summary | 2923900090 other quaternary ammonium salts and hydroxides。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
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Synonyms
| Diethyl(2-hydroxyethyl)methylammonium Bromide Benzilate (Ester) |
| Semulgin |
| Sanrine |
| Igsain |
| Benactyzin-methobromid |
| Noinarin |
| Finalin |
| Alsain |
| EINECS 221-628-3 |
| N,N-diethyl-2-{[hydroxy(diphenyl)acetyl]oxy}-N-methylethanaminium bromide |
| Gastrimade |
| N,N-Diethyl-2-((hydroxydiphenylacetyl)oxy)-N-methylethanaminium Bromide |
| Paragone |
| Apulcin |
| N,N-Diethyl-2-[2-hydroxy(diphenyl)acetoxy]-N-methylethanaminium bromide |
| Ethanaminium, N,N-diethyl-2-[(2-hydroxy-2,2-diphenylacetyl)oxy]-N-methyl-, bromide (1:1) |
| Final |
| methylbenactyzium bromide |
