Ibogaine hydrochloride

Base Information

• Chemical Name: Ibogaine hydrochloride
• CAS No.: 5934-55-4
• Molecular Formula: C20H26 N2 O . Cl H
• Molecular Weight: 346.9
• European Community (EC) Number: 227-687-1
• NSC Number: 29847
• UNII: MRI8GKD98X
• DSSTox Substance ID: DTXSID7048877
• ChEMBL ID: CHEMBL2360520
• Mol file: 5934-55-4.mol

Synonyms:Ibogaine hydrochloride;Ibogaine, monohydrochloride;ibogaine HCl;IBOGAINE (HCL);dl-Ibogamine hydrochloride;5934-55-4;12-Methoxyibogamine monohydrochloride;Ibogaine hydrochloride (VAN);Ibogamine, 12-methoxy-, monohydrochloride;EINECS 227-687-1;UNII-MRI8GKD98X;NSC 29847;MRI8GKD98X;DTXSID7048877;NSC-29847;(1R,15R,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene;hydrochloride;36415-61-9;(2R,4S,4aS,12bR)-4-ethyl-2,5-methano-9-methoxy-2,3,4,4a,6,7,12,12b-octahydro-1H-indolo[3,2-d][1]benzazepine monohydrochloride;NCGC00247731-01;Ibogamine, monohydrochloride;BOGAINE HYDROCHLORIDE;IBOGAINE, HYDROCHLORIDE;SCHEMBL431979;CHEMBL2360520;DTXCID7028803;IBOGAINE MONOHYDROCHLORIDE;IBOGAINE HYDROCHLORIDE [MI];NSC29847;Tox21_112897;IBOGAINE HYDROCHLORIDE [VANDF];IBOGAINE HYDROCHLORIDE [WHO-DD];LS-77563;CAS-36415-61-9;IBOGAMINE, 12-METHOXY-, HYDROCHLORIDE (1:1);Q27284192;WLN: T E6 C5 B766/NS A 2BO S DM NN&&TTTJ HO1 P2 &GH

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Ibogaine hydrochloride

Chemical Property:

• Vapor Pressure: 1.57E-09mmHg at 25°C
• Boiling Point: 484.2°C at 760 mmHg
• Flash Point: 246.6°C
• PSA: 28.26000
• LogP: 4.67650
• Solubility.: H2O: soluble
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 346.1811912
• Heavy Atom Count: 24
• Complexity: 455

Purity/Quality:

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 22-26-37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC.Cl
• Isomeric SMILES: CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC.Cl
• Recent ClinicalTrials: Ibogaine in the Treatment of Alcoholism: a Randomized, Double-blind, Placebo-controlled, Escalating-dose, Phase 2 Trial
• Uses: Ibogaine Hydrochloride is a naturally occurring psychoactive substance. It is a β-carboline derivative that cause both hallucinations and tremor.

Technology Process of Ibogaine hydrochloride

There total 2 articles about Ibogaine hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

voacangine (510-22-5) → ibogaine hydrochloride (5934-55-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium hydroxide / ethanol / Reflux

1.2: 0.08 h / 0 °C / pH 1 / Reflux

2.1: hydrogenchloride / diethyl ether

With hydrogenchloride; potassium hydroxide; In diethyl ether; ethanol;

DOI:10.1021/acschemneuro.0c00152

Reference yield:

ibogaine (83-74-9) → ibogaine hydrochloride (5934-55-4)

Guidance literature:

With hydrogenchloride; In diethyl ether;

DOI:10.1021/acschemneuro.0c00152

upstream raw materials:

voacangine

ibogaine

Refernces