Introduction：Basic information about CAS 82190-91-8|Flufylline, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Flufylline |
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| CAS Number | 82190-91-8 | Molecular Weight | 413.44500 |
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| Density | 1.39g/cm3 | Boiling Point | 632.8ºC at 760 mmHg |
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| Molecular Formula | C21H24FN5O3 | Melting Point | / |
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| MSDS | / | Flash Point | 336.5ºC |
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Names
| Name | 7-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.39g/cm3 |
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| Boiling Point | 632.8ºC at 760 mmHg |
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| Molecular Formula | C21H24FN5O3 |
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| Molecular Weight | 413.44500 |
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| Flash Point | 336.5ºC |
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| Exact Mass | 413.18600 |
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| PSA | 82.13000 |
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| LogP | 1.10560 |
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| Index of Refraction | 1.662 |
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| InChIKey | PMEYQPKJAPXGPS-UHFFFAOYSA-N |
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| SMILES | Cn1c(=O)c2c(ncn2CCN2CCC(C(=O)c3ccc(F)cc3)CC2)n(C)c1=O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- XH5624000
- CHEMICAL NAME :
- Theophylline, 7-(2-(4-(p-fluorobenzoyl)piperidino)ethyl)-
- CAS REGISTRY NUMBER :
- 82190-91-8
- LAST UPDATED :
- 198806
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C21-H24-F-N5-O3
- MOLECULAR WEIGHT :
- 413.50
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 149 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - ptosis Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 34,1,1984
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 12 mg/kg
- TOXIC EFFECTS :
- Sense Organs and Special Senses (Eye) - ptosis Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 34,1,1984
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Synonyms
| Flufyllin |
| Flufilina [Spanish] |
| 1H-Purine-2,6-dione,7-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-3,7-dihydro-1,3-dimethyl |
| Sgd 195 78 |
| Flufylline |
| Flufyllinum [Latin] |
| Theophylline,7-(2-(4-(p-fluorobenzoyl)piperidino)ethyl) |
| 7-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)theophylline |
| Flufylline [INN] |
