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| CAS No.: | 83-74-9 |
|---|---|
| Name: | IBOGAINE |
| Molecular Structure: | |
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|
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| Formula: | C20H26N2O |
| Molecular Weight: | 310.439 |
| Synonyms: | Ibogaine(7CI,8CI);(-)-Ibogaine;Ibogain;NSC 249764; |
| EINECS: | 201-498-4 |
| Density: | 1.2 g/cm3 |
| Melting Point: | 152-153° |
| Boiling Point: | 484.2 °C at 760 mmHg |
| Flash Point: | 246.6 °C |
| Hazard Symbols: | F,T |
| Risk Codes: | 11-23/24/25-39/23/24/25 |
| Safety: | 7-16-36/37-45 |
| PSA: | 28.26000 |
| LogP: | 3.87450 |
- 852475-26-4MC1568
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- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
| Conditions | Yield |
|---|---|
| Stage #1: voacangine With potassium hydroxide In ethanol Reflux; Stage #2: With hydrogenchloride In water at 0℃; for 0.0833333h; pH=1; Reflux; | 86% |
| With potassium hydroxide Erwaermen der Reaktionsloesung mit methanol. HCl; |
- 113950-91-7
12-methoxy-20,21-didehydro-ibogamine
- 83-74-9
ibogaine
| Conditions | Yield |
|---|---|
| Hydrogenation; |
| Conditions | Yield |
|---|---|
| With tetrahydrofuran; lithium aluminium tetrahydride |
- 83-74-9
ibogaine
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride; diethyl ether |
| Conditions | Yield |
|---|---|
| With iodine; aluminium In acetonitrile for 3h; Reflux; | 76% |
- 110-86-1
pyridine
- 83-74-9
ibogaine
- 111066-15-0
12-methoxy-16,17-didehydro-9,17-dihydro-ibogamin-9α-yl hydroperoxide
- 110-86-1
pyridine
- 83-74-9
ibogaine
A
- 2637-13-0
12-methoxy-ibogamin-19-one
B
- 111411-40-6
12-methoxy-ibogamine-8,19-dione
| Conditions | Yield |
|---|---|
| Irradiation; |
| Conditions | Yield |
|---|---|
| Stage #1: ibogaine; benzyl chloroformate With N-ethyl-N,N-diisopropylamine at 20℃; Inert atmosphere; Stage #2: With boron tribromide Inert atmosphere; |
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- 132980-16-65-methoxy-6-methyl-2-aminoindan
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- 9003-39-8Povidone
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Specification
The Ibogamine, 12-methoxy- is an organic compound with the formula C20H26N2O. The systematic name of this chemical is 12-Methoxyibogamine. With the CAS registry number 83-74-9, it is also named as Endabuse. Besides, its molecular weight is 310.43.
Physical properties about Ibogamine, 12-methoxy- are: (1)ACD/LogP: 4.56; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 17.4 Å2; (6)Index of Refraction: 1.643; (7)Molar Refractivity: 93.19 cm3; (8)Molar Volume: 257.6 cm3; (9)Polarizability: 36.94×10-24 cm3; (10)Surface Tension: 53.6 dyne/cm; (11)Density: 1.2 g/cm3; (12)Flash Point: 246.6 °C; (13)Enthalpy of Vaporization: 74.94 kJ/mol; (14)Boiling Point: 484.2 °C at 760 mmHg; (15)Vapour Pressure: 1.57E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc2c(c1)c3c(n2)[C@@H]5C[C@H]4C[C@@H]([C@@H]5N(CC3)C4)CC)C
(2)InChI: InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1
(3)InChIKey: HSIBGVUMFOSJPD-CFDPKNGZBI
(4)Std. InChI: InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1
(5)Std. InChIKey: HSIBGVUMFOSJPD-CFDPKNGZSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | intraperitoneal | 82mg/kg (82mg/kg) | Drugs of the Future. Vol. 21, Pg. 1109, 1996. | |
| rat | LD50 | intraperitoneal | 145mg/kg (145mg/kg) | Drugs of the Future. Vol. 21, Pg. 1109, 1996. | |
| rat | LD50 | oral | 327mg/kg (327mg/kg) | Drugs of the Future. Vol. 21, Pg. 1109, 1996. |