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Ibogamine

CAT: 1299-RM-I100000-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-I100000-04Size:100 mg
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CAS Number
83-74-9
Synonyms
(6R,6aS,7S,9R,11S) -7-ethyl-2-methoxy-6,6a,7,8,9,10,12,13-octahydro-5H-6,9-methanopyrido[1',2':1,2]azepino[4,5-b]indole
Molecular Formula
C20H26N2O
Molecular Weight
310.44
Target Alternative Name
Ibogamine
Product Name Synonym
(6R,6aS,7S,9R,11S) -7-ethyl-2-methoxy-6,6a,7,8,9,10,12,13-octahydro-5H-6,9-methanopyrido[1',2':1,2]azepino[4,5-b]indole

Chemical Information

Ibogaine

Ibogaine is an organic heteropentacyclic compound that is ibogamine in which the indole hydrogen para to the indole nitrogen has been replaced by a methoxy group. It has a role as a oneirogen, an inhibitor, a hallucinogen and a plant metabolite. It is an aromatic ether, an organic heteropentacyclic compound and a monoterpenoid indole alkaloid. It is functionally related to an ibogamine. It is a conjugate base of an ibogaine(1+).

CAS Number83-74-9
PubChem CID197060
IUPAC Name(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
Molecular FormulaC20H26N2O
Molecular Weight310.4
XLogP3.9
Topological Polar Surface Area28.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity455
SMILES
CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC
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
InChIKey
HSIBGVUMFOSJPD-CFDPKNGZSA-N
Chemical Structure
2D Structure
2D structure of Ibogaine
CAS: 83-74-9
CID: 197060
Formula: C20H26N2O
MW: 310.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.4
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass310.204513457
Monoisotopic Mass310.204513457
Topological Polar Surface Area28.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity455
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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