13-Methoxyibogamine

Base Information

• Chemical Name: 13-Methoxyibogamine
• CAS No.: 83-94-3
• Molecular Formula: C20H26 N2 O
• Molecular Weight: 310.43
• UNII: TV52I1S16D
• DSSTox Substance ID: DTXSID50878514
• Nikkaji Number: J9.333E
• Wikipedia: Tabernanthine
• Wikidata: Q110184971
• Mol file: 83-94-3.mol

Synonyms:tabernanthine;tabernanthine tartrate;tabernanthine, p-chlorophenoxyacetate

Chemical Property of 13-Methoxyibogamine

Chemical Property:

• Vapor Pressure: 1.57E-09mmHg at 25°C
• Melting Point: 213.5-215°
• Boiling Point: 484.2°C at 760 mmHg
• PKA: 6.04 in 80% methylcellosolve
• Flash Point: 246.6°C
• PSA: 28.26000
• Density: 1.2g/cm³
• LogP: 3.87450
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 310.204513457
• Heavy Atom Count: 23
• Complexity: 455

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=CC(=C5)OC
• Isomeric SMILES: CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CCC4=C3NC5=C4C=CC(=C5)OC
• Description: An alkaloid which occurs in Tabernanthe iboga BailI. and also in Stem madenia donnell-smithii R. E. Woodson, this base was first given the formula C21H2SON2, later altered to that given above. The alkaloid forms colourless needles or orthorhombic plates from EtOH and is best purified by sublimation. It has [α]D - 35° and gives an ultraviolet spectrum with absorption maxima at 229, 271 and 299 IIlfJ.. The hydrochloride forms colourless crystals from boiling H20, m.p. 275-7°C; [α]25.5D - 66° (MeOH). This salt is freely soluble in CHCI3, contains one methoxyl group and is unsaturated.When injected intravenously into dogs, the alkaloid is hypotensive, reduces the reflex hypertension induced by occlusion of the carotids, decreases both the rate and amplitude of respiration and, like Ibogaine (q.v.), increases the hypertension produced by injection of adrenaline. It has also been found to prolong the hypotension which results from the injection of acetylcholine.