Introduction：Basic information about CAS 56245-67-1|(+)-BUTACLAMOL, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (+)-BUTACLAMOL |
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| CAS Number | 56245-67-1 | Molecular Weight | 361.52000 |
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| Density | 1.16g/cm3 | Boiling Point | 500.3ºC at 760mmHg |
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| Molecular Formula | C25H31NO | Melting Point | / |
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| MSDS | / | Flash Point | 239.9ºC |
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Names
| Name | (3S,4aS,13bS)-3-(2-Methyl-2-propanyl)-2,3,4,4a,8,9,13b,14-octahyd ro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolin-3-ol |
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Chemical & Physical Properties
| Density | 1.16g/cm3 |
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| Boiling Point | 500.3ºC at 760mmHg |
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| Molecular Formula | C25H31NO |
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| Molecular Weight | 361.52000 |
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| Flash Point | 239.9ºC |
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| Exact Mass | 361.24100 |
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| PSA | 23.47000 |
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| LogP | 4.78270 |
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| InChIKey | ZZJYIKPMDIWRSN-HWBMXIPRSA-N |
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| SMILES | CC(C)(C)C1(O)CCN2CC3c4ccccc4CCc4cccc(c43)C2C1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DE8039450
- CHEMICAL NAME :
- 1H-Benzo(6,7)cyclohepta(1,2,3-de)pyrido(2,1-a)isoquin olin-3-ol, 2,3,4,4a,8,9,13b,14- octahydro-3-(1,1-dimethylethyl)-, (3S-(3-alpha,4a-alpha,13b-beta))-
- CAS REGISTRY NUMBER :
- 56245-67-1
- LAST UPDATED :
- 199112
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C25-H31-N-O
- MOLECULAR WEIGHT :
- 361.57
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >320 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: 22,401,1979
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