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5-Methoxy-N, N-dimethyltryptamine Nb-oxide

CAT: 0804-HY-169466Size: 1 EachDry Ice: NoHazardous: No
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Description
5-Methoxy-N, N-dimethyltryptamine Nb-oxide is an indole alkaloid. 5-Methoxy-N, N-dimethyltryptamine Nb-oxide is the N-oxide form of 5-Methoxy-N, N-dimethyltryptamine (5-MeO-DMT), which is a known psychoactive substance[1].
CAS Number
4006-02-4
UNSPSC
12352005
Target
Drug Derivative
Related Pathways
Others
Field of Research
Neurological Disease
Smiles
[O-][N+](C)(CCC1=CNC2=C1C=C(OC)C=C2)C
Molecular Formula
C13H18N2O2
Molecular Weight
234.29
References & Citations
[1]P. K. BANERJEE, et al. SIMPLE INDOLE BASES OF DESMODIUM GANGETICUM (LEGUMINOSAE) . Manuscript received August 16, 19681.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine oxide

5-Methoxy-N,N-dimethyl-tryptamine Nb-oxide is a member of indoles.

CAS Number4006-02-4
PubChem CID5319429
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine oxide
Molecular FormulaC13H18N2O2
Molecular Weight234.29
XLogP1
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity258
SMILES
C[N+](C)(CCC1=CNC2=C1C=C(C=C2)OC)[O-]
InChI
InChI=1S/C13H18N2O2/c1-15(2,16)7-6-10-9-14-13-5-4-11(17-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
InChIKey
AVIICGUHIIDHRN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine oxide
CAS: 4006-02-4
CID: 5319429
Formula: C13H18N2O2
MW: 234.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.29
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass234.136827821
Monoisotopic Mass234.136827821
Topological Polar Surface Area43.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity258
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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