Introduction：Basic information about CAS 101246-68-8|Eptastigmine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Eptastigmine |
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| CAS Number | 101246-68-8 | Molecular Weight | 359.50600 |
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| Density | 1.072g/cm3 | Boiling Point | 470.8ºC at 760mmHg |
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| Molecular Formula | C21H33N3O2 | Melting Point | / |
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| MSDS | / | Flash Point | 238.5ºC |
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Names
| Name | Eptastigmine |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.072g/cm3 |
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| Boiling Point | 470.8ºC at 760mmHg |
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| Molecular Formula | C21H33N3O2 |
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| Molecular Weight | 359.50600 |
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| Flash Point | 238.5ºC |
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| Exact Mass | 359.25700 |
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| PSA | 44.81000 |
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| LogP | 4.50830 |
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| Vapour Pressure | 4.91E-09mmHg at 25°C |
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| Index of Refraction | 1.539 |
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| InChIKey | RRGMXBQMCUKRLH-CTNGQTDRSA-N |
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| SMILES | CCCCCCCNC(=O)Oc1ccc2c(c1)C1(C)CCN(C)C1N2C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- FB1412500
- CHEMICAL NAME :
- Carbamic acid, heptyl-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo(2,3-b )indol- 5-yl ester, (3aS-cis)-
- CAS REGISTRY NUMBER :
- 101246-68-8
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C21-H33-N3-O2
- MOLECULAR WEIGHT :
- 359.57
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 24 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 37,1996,1994
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Parenteral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 35 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #5306825
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Synonyms
| Heptylstigmine |
| Epastigmine |
| physostigmine heptyl |
| N-heptyl-eserine |
| Heptastigmine |
| Heptylphysostigmine |
