Introduction：Basic information about CAS 548-66-3|Drofenine hydrochloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Drofenine hydrochloride |
|---|
| CAS Number | 548-66-3 | Molecular Weight | 353.92700 |
|---|
| Density | / | Boiling Point | 417.4ºC at 760mmHg |
|---|
| Molecular Formula | C20H32ClNO2 | Melting Point | 145-147° |
|---|
| MSDS | ChineseUSA | Flash Point | 124.6ºC |
|---|
Names
| Name | drofenine hydrochloride |
|---|
| Synonym | More Synonyms |
|---|
Drofenine hydrochloride BiologicalActivity
| Description | Drofenine hydrochloride is a potent competitive inhibitor of BChE, and the ki values of Drofenine is calculated to be 3 uM.IC50 value: 3 uM (ki)Target: BChEBenactyzine is widely used anticholinergic drugs, acts on smooth muscle to stop muscle spasms. |
|---|
| Related Catalog | Signaling Pathways >>Neuronal Signaling >>AChEResearch Areas >>Neurological Disease |
|---|
| References | [1]. Bodur E, et al. Inhibition effects of benactyzine and drofenine on human serum butyrylcholinesterase. Arch Biochem Biophys. 2001 Feb 1;386(1):25-29. |
|---|
Chemical & Physical Properties
| Boiling Point | 417.4ºC at 760mmHg |
|---|
| Melting Point | 145-147° |
|---|
| Molecular Formula | C20H32ClNO2 |
|---|
| Molecular Weight | 353.92700 |
|---|
| Flash Point | 124.6ºC |
|---|
| Exact Mass | 353.21200 |
|---|
| PSA | 29.54000 |
|---|
| LogP | 5.03750 |
|---|
| InChIKey | WIELVDXKOYPANK-UHFFFAOYSA-N |
|---|
| SMILES | CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1.Cl |
|---|
| Storage condition | 2-8°C |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- GU6825000
- CHEMICAL NAME :
- Cyclohexaneacetic acid, alpha-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
- CAS REGISTRY NUMBER :
- 548-66-3
- LAST UPDATED :
- 199706
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C20-H31-N-O2.Cl-H
- MOLECULAR WEIGHT :
- 353.98
- WISWESSER LINE NOTATION :
- L6TJ AYR&VO2N2&2 &GH
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3700 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CKFRAY Ceskoslovenska Farmacie. (PNS-Ustredni Expedice a Dovoz Tisku, Kafkova 19, 160 00 Prague 6, Czechoslovakia) V.1- 1952- Volume(issue)/page/year: 3,238,1954
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1201 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CKFRAY Ceskoslovenska Farmacie. (PNS-Ustredni Expedice a Dovoz Tisku, Kafkova 19, 160 00 Prague 6, Czechoslovakia) V.1- 1952- Volume(issue)/page/year: 3,238,1954
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 47 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CKFRAY Ceskoslovenska Farmacie. (PNS-Ustredni Expedice a Dovoz Tisku, Kafkova 19, 160 00 Prague 6, Czechoslovakia) V.1- 1952- Volume(issue)/page/year: 3,238,1954
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 28,37,1965
|
Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|
| RIDADR | NONH for all modes of transport |
|---|
| WGK Germany | 2 |
|---|
| RTECS | GU6825000 |
|---|
Articles3
More Articles
| Simultaneous determination of hydrochloride salts of adiphenine, diphenhydramine, ethyldiphenacetate, drofenine and promazine by ion-pair HPLC. Boll. Chim. Farm. 122(8) , 405-11, (1983)
| |
| Functional and direct binding studies using subtype selective muscarinic receptor antagonists. Br. J. Pharmacol. 93(3) , 491-500, (1988) 1. Muscarinic receptor antagonists were examined in direct binding studies on guinea-pig cardiac and cortical muscarinic receptors. Pirenzepine, dicyclomine and hexahydroadiphenine were shown to be se... | |
| Inhibition effects of benactyzine and drofenine on human serum butyrylcholinesterase. Arch. Biochem. Biophys. 386(1) , 25-9, (2001) Benactyzine and drofenine are widely used anticholinergic drugs. Benactyzine is used to treat organophosphate poisoning and drofenine acts on smooth muscle to stop muscle spasms. Both of these drugs a... | |
Synonyms
| cyclovegantine |
| hexahydroadiphenine |
| cycloadiphenine |
| Cyclovegantin*Hydrochlorid |
| Cycloadiphenin*Hydrochlorid |
| Drofeninhydrochlorid |
| it-19 |
| Cyclohexyl-phenyl-essigsaeure-(2-diaethylamino-aethylester),Hydrochlorid |
| DROFENINE HCL |
| cyclohexyl-phenyl-acetic acid-(2-diethylamino-ethyl ester),hydrochloride |
| trasentinh |
| DrofeninHCl |
