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N-Demethyl-α-obscurine

CAT: 1410-M39589Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M39589Size:1 Each
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Description
N-Demethyl-alpha-obscurine is a natural product from Lycopodium japonicum.
CAS Number
34399-44-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
260.37
Molecular Formula
C16H24N2O
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

N-Demethyl-alpha-obscurine
CAS Number34399-44-5
PubChem CID46218452
IUPAC Name(1R,9S,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one
Molecular FormulaC16H24N2O
Molecular Weight260.37
XLogP1.2
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count19
Formal Charge0
Complexity456
SMILES
C[C@@H]1C[C@H]2CC3=C(CCC(=O)N3)[C@@]4(C1)[C@@H]2CCCN4
InChI
InChI=1S/C16H24N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h10-12,17H,2-9H2,1H3,(H,18,19)/t10-,11+,12-,16-/m1/s1
InChIKey
SODGYLLKKFRBQO-AZKPJATDSA-N
Chemical Structure
2D Structure
2D structure of N-Demethyl-alpha-obscurine
CAS: 34399-44-5
CID: 46218452
Formula: C16H24N2O
MW: 260.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.37
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass260.188863393
Monoisotopic Mass260.188863393
Topological Polar Surface Area41.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity456
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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