Ibogaine
Ibogaine structure
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Common Name | Ibogaine | ||
|---|---|---|---|---|
| CAS Number | 83-74-9 | Molecular Weight | 310.433 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 484.2±40.0 °C at 760 mmHg | |
| Molecular Formula | C20H26N2O | Melting Point | 152-153° | |
| MSDS | N/A | Flash Point | 246.6±27.3 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | ibogaine |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 484.2±40.0 °C at 760 mmHg |
| Melting Point | 152-153° |
| Molecular Formula | C20H26N2O |
| Molecular Weight | 310.433 |
| Flash Point | 246.6±27.3 °C |
| Exact Mass | 310.204498 |
| PSA | 28.26000 |
| LogP | 4.56 |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.643 |
| InChIKey | HSIBGVUMFOSJPD-JRCPBQNDSA-N |
| SMILES | CCC1CC2CC3c4[nH]c5ccc(OC)cc5c4CCN(C2)C13 |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | F,T |
|---|---|
| Risk Phrases | 11-23/24/25-39/23/24/25 |
| Safety Phrases | 7-16-36/37-45 |
| RIDADR | UN 1544 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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Ibogaine CAS#:83-74-9 |
| Literature: US2813873 , ; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 241, p. 986 Helvetica Chimica Acta, , vol. 42, p. 1572,1577 Annales de Chimie (Cachan, France), , vol. <13>4, p. 303,319,344 |
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Ibogaine CAS#:83-74-9 |
| Literature: US2877229 , ; |
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Ibogaine CAS#:83-74-9 |
| Literature: Experientia, , vol. 15, p. 456 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 1 | |
CAS#:3885-19-6This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of human SERT transfected in HEK cells using APP+ as fluorescent substrate...
Source: ChEMBL
Target: Sodium-dependent serotonin transporter
External Id: CHEMBL5136476
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Name: Inhibition of rat VMAT2 transfected in HEK cells using FFN206 as fluorescent substrat...
Source: ChEMBL
Target: Synaptic vesicular amine transporter
External Id: CHEMBL5136477
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|
Name: Induction of apoptosis in human MCF7 cells assessed as increase in caspase-3 activity...
Source: ChEMBL
Target: MCF7
External Id: CHEMBL4395235
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|
Name: Cytotoxicity against human MCF7 cells assessed as reduction in cell viability incubat...
Source: ChEMBL
Target: MCF7
External Id: CHEMBL4395239
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Name: Binding affinity to sigma-1 receptor (unknown origin)
Source: ChEMBL
Target: Sigma non-opioid intracellular receptor 1
External Id: CHEMBL4148655
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Name: Binding affinity to sigma-2 receptor (unknown origin)
Source: ChEMBL
Target: Sigma intracellular receptor 2
External Id: CHEMBL4148656
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 12-methoxy-ibogamin |
| (-)-Ibogaine |
| 12-Methoxyibogamine |
| Endabuse |
| Ibogaine (8CI) |
| (–)-12-Methoxyibogamine |
| Ibogamine,12-methoxy |
| Ibogain |
| Ibogaine |
| MFCD03265619 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of ibogaine? |
| A: CAS number of ibogaine is 83-74-9. |
| Q: What is the English name of ibogaine? |
| A: The English name of ibogaine is ibogaine. |
| Q: What are the upstream materials of ibogaine? |
| A: Related upstream materials(CAS) of ibogaine: 510-22-5;113950-91-7. |
| Q: What is the InChIKey of ibogaine? |
| A: InChIKey of ibogaine is HSIBGVUMFOSJPD-JRCPBQNDSA-N. |
| Q: What is the boiling point of ibogaine? |
| A: Boiling point of ibogaine is 484.2±40.0 °C at 760 mmHg. |
| Q: What English synonyms does ibogaine have? |
| A: English synonyms of ibogaine: 12-methoxy-ibogamin, (-)-Ibogaine, 12-Methoxyibogamine, Endabuse, Ibogaine (8CI), (–)-12-Methoxyibogamine, Ibogamine,12-methoxy, Ibogain, Ibogaine, MFCD03265619. |
| Q: What is the polar surface area (PSA) of ibogaine? |
| A: Polar surface area (PSA) of ibogaine is 28.26000. |
| Q: What is the molecular weight of ibogaine? |
| A: Molecular weight of ibogaine is 310.433. |
| Q: What is the melting point of ibogaine? |
| A: Melting point of ibogaine is 152-153°. |
| Q: What is the molecular formula of ibogaine? |
| A: Molecular formula of ibogaine is C20H26N2O. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| BioBioPha |