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Pteleine

CAT: 0013-GTR19239459-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239459-02Size:50 mg
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Description
Pteleine is a mutagenic furanoquinoline alkaloid. This small molecule is used in research applications, particularly in genetic toxicology studies, to investigate mutagenic mechanisms in vitro.
CAS Number
2221-41-2
Smiles
N1=C2OC=CC2=C (OC) C=3C=C (OC) C=CC13
Molecular Formula
C13H11NO3
Molecular Weight
229.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pteleine

Pteleine has been reported in Melicope triphylla, Melicope semecarpifolia, and other organisms with data available.

CAS Number2221-41-2
PubChem CID159650
IUPAC Name4,6-dimethoxyfuro[2,3-b]quinoline
Molecular FormulaC13H11NO3
Molecular Weight229.23
XLogP2.9
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity273
SMILES
COC1=CC2=C(C=C1)N=C3C(=C2OC)C=CO3
InChI
InChI=1S/C13H11NO3/c1-15-8-3-4-11-10(7-8)12(16-2)9-5-6-17-13(9)14-11/h3-7H,1-2H3
InChIKey
ALLQMEDAYDKMIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pteleine
CAS: 2221-41-2
CID: 159650
Formula: C13H11NO3
MW: 229.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.23
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass229.07389321
Monoisotopic Mass229.07389321
Topological Polar Surface Area44.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity273
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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