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1-Methoxymethyl-β-carboline

CAT: 0013-GTR19217098-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217098-01Size:5 mg
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Description
1-Methoxymethyl-β-carboline is a natural β-carboline alkaloid isolated from the roots of Eurycoma longifolia . This compound is of research interest in ethnopharmacology and neuropharmacology, serving as a candidate for in vitro studies investigating its potential biological activities.
CAS Number
55854-60-9
Smiles
N=1C=CC=2C=3C=CC=CC3NC2C1COC
Molecular Formula
C13H12N2O
Molecular Weight
212.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Methoxymethyl-Beta-Carboline

NSC149848 has been reported in Eurycoma longifolia with data available.

CAS Number55854-60-9
PubChem CID5382686
IUPAC Name1-(methoxymethyl)-9H-pyrido[3,4-b]indole
Molecular FormulaC13H12N2O
Molecular Weight212.25
XLogP2
Topological Polar Surface Area37.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity246
SMILES
COCC1=NC=CC2=C1NC3=CC=CC=C23
InChI
InChI=1S/C13H12N2O/c1-16-8-12-13-10(6-7-14-12)9-4-2-3-5-11(9)15-13/h2-7,15H,8H2,1H3
InChIKey
OELXEULZDKMFCS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methoxymethyl-Beta-Carboline
CAS: 55854-60-9
CID: 5382686
Formula: C13H12N2O
MW: 212.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.25
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass212.094963011
Monoisotopic Mass212.094963011
Topological Polar Surface Area37.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity246
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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