Introduction：Basic information about CAS 92-12-6|phenyltoloxamine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | phenyltoloxamine |
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| CAS Number | 92-12-6 | Molecular Weight | 255.35500 |
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| Density | 1.022g/cm3 | Boiling Point | 359.2ºC at 760 mmHg |
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| Molecular Formula | C17H21NO | Melting Point | / |
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| MSDS | / | Flash Point | 106ºC |
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Names
| Name | 2-(2-benzylphenoxy)-N,N-dimethylethanamine |
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| Synonym | More Synonyms |
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phenyltoloxamine BiologicalActivity
| Description | Phenyltoloxamine (Bistrimin) is an antihistamine agent with sedative and analgesic effects. Phenyltoloxamine also has potent Sigma-1 receptor binding affinity (Ki: 160 nM)[1][2][3]. |
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| Related Catalog | Signaling Pathways >>Immunology/Inflammation >>Histamine ReceptorSignaling Pathways >>Metabolic Enzyme/Protease >>Cytochrome P450Research Areas >>Inflammation/ImmunologyResearch Areas >>Neurological DiseaseSignaling Pathways >>GPCR/G Protein >>Sigma ReceptorSignaling Pathways >>GPCR/G Protein >>Histamine Receptor |
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| Target | Sigma 1 Receptor:160 nM (Ki) |
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| In Vitro | Phenyltoloxamine (10-50 μM, 24 h) demonstrates cytotoxicity in EVSA-T cells[2]. Phenyltoloxamine exhibits potent Sigma 1 Receptor (S1R) binding affinity with a Ki value of 160 nM[3]. Phenyltoloxamine (100 μM) inhibits human liver macrosaml CYP2D6 enzyme by 99.0%[4]. |
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Chemical & Physical Properties
| Density | 1.022g/cm3 |
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| Boiling Point | 359.2ºC at 760 mmHg |
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| Molecular Formula | C17H21NO |
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| Molecular Weight | 255.35500 |
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| Flash Point | 106ºC |
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| Exact Mass | 255.16200 |
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| PSA | 12.47000 |
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| LogP | 3.21780 |
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| Index of Refraction | 1.552 |
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| InChIKey | IZRPKIZLIFYYKR-UHFFFAOYSA-N |
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| SMILES | CN(C)CCOc1ccccc1Cc1ccccc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- KH2376000
- CHEMICAL NAME :
- Ethanamine, N,N-dimethyl-2-(2-(phenylmethyl)phenoxy)-
- CAS REGISTRY NUMBER :
- 92-12-6
- BEILSTEIN REFERENCE NO. :
- 1986598
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C17-H21-N-O
- MOLECULAR WEIGHT :
- 255.39
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PSCBAY Psychopharmacology Service Center, Bulletin. (Bethesda, MD) V.1-3, 1961-65. For publisher information, see PSYBB9. Volume(issue)/page/year: 2,17,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1127 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PSCBAY Psychopharmacology Service Center, Bulletin. (Bethesda, MD) V.1-3, 1961-65. For publisher information, see PSYBB9. Volume(issue)/page/year: 2,17,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 246 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PSCBAY Psychopharmacology Service Center, Bulletin. (Bethesda, MD) V.1-3, 1961-65. For publisher information, see PSYBB9. Volume(issue)/page/year: 2,17,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 55 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PSCBAY Psychopharmacology Service Center, Bulletin. (Bethesda, MD) V.1-3, 1961-65. For publisher information, see PSYBB9. Volume(issue)/page/year: 2,17,1963 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83250 No. of Facilities: 19 (estimated) No. of Industries: 1 No. of Occupations: 9 No. of Employees: 934 (estimated) No. of Female Employees: 506 (estimated)
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Synonyms
| Feniltolossamina [DCIT] |
| Phenyltoloxamine |
| Phenoxadrine |
| Antin |
| [2-(2-benzyl-phenoxy)-ethyl]-dimethyl-amine |
| Histionex |
| 2-Dimethylamino-1-(2-benzyl-phenoxy)-aethan |
| Bistrimin |
| Phenoxadrin |
| UNII-K65LB6598J |
| Phenyl-toloxamin |
| Phentoloxamine |
| Bristamin |
| [2-(2-Benzyl-phenoxy)-aethyl]-dimethyl-amin |
