Introduction：Basic information about CAS 83-74-9|Ibogaine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Ibogaine |
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| CAS Number | 83-74-9 | Molecular Weight | 310.433 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 484.2±40.0 °C at 760 mmHg |
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| Molecular Formula | C20H26N2O | Melting Point | 152-153° |
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| MSDS | / | Flash Point | 246.6±27.3 °C |
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Names
| Name | ibogaine |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 484.2±40.0 °C at 760 mmHg |
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| Melting Point | 152-153° |
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| Molecular Formula | C20H26N2O |
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| Molecular Weight | 310.433 |
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| Flash Point | 246.6±27.3 °C |
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| Exact Mass | 310.204498 |
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| PSA | 28.26000 |
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| LogP | 4.56 |
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| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
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| Index of Refraction | 1.643 |
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| InChIKey | HSIBGVUMFOSJPD-JRCPBQNDSA-N |
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| SMILES | CCC1CC2CC3c4[nH]c5ccc(OC)cc5c4CCN(C2)C13 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NH6918615
- CHEMICAL NAME :
- Ibogamine, 12-methoxy-
- CAS REGISTRY NUMBER :
- 83-74-9
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 3
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 327 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 21,1109,1996
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 145 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 21,1109,1996
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 82 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 21,1109,1996
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Safety Information
| Hazard Codes | F,T |
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| Risk Phrases | 11-23/24/25-39/23/24/25 |
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| Safety Phrases | 7-16-36/37-45 |
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| RIDADR | UN 1544 |
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| Packaging Group | III |
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| Hazard Class | 6.1(b) |
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Synonyms
| 12-methoxy-ibogamin |
| (-)-Ibogaine |
| 12-Methoxyibogamine |
| Endabuse |
| Ibogaine (8CI) |
| (–)-12-Methoxyibogamine |
| Ibogamine,12-methoxy |
| Ibogamine, 12-methoxy- |
| Ibogain |
| Ibogaine |
| MFCD03265619 |
